4V4E
Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene
This is a non-PDB format compatible entry.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0009061 | biological_process | anaerobic respiration |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| A | 0030151 | molecular_function | molybdenum ion binding |
| A | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| A | 0043546 | molecular_function | molybdopterin cofactor binding |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0009061 | biological_process | anaerobic respiration |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| C | 0030151 | molecular_function | molybdenum ion binding |
| C | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| C | 0043546 | molecular_function | molybdopterin cofactor binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| E | 0009055 | molecular_function | electron transfer activity |
| E | 0009061 | biological_process | anaerobic respiration |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| E | 0030151 | molecular_function | molybdenum ion binding |
| E | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| E | 0043546 | molecular_function | molybdopterin cofactor binding |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| G | 0009055 | molecular_function | electron transfer activity |
| G | 0009061 | biological_process | anaerobic respiration |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| G | 0030151 | molecular_function | molybdenum ion binding |
| G | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| G | 0043546 | molecular_function | molybdopterin cofactor binding |
| G | 0046872 | molecular_function | metal ion binding |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| H | 0046872 | molecular_function | metal ion binding |
| H | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| I | 0009055 | molecular_function | electron transfer activity |
| I | 0009061 | biological_process | anaerobic respiration |
| I | 0016491 | molecular_function | oxidoreductase activity |
| I | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| I | 0030151 | molecular_function | molybdenum ion binding |
| I | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| I | 0043546 | molecular_function | molybdopterin cofactor binding |
| I | 0046872 | molecular_function | metal ion binding |
| J | 0016491 | molecular_function | oxidoreductase activity |
| J | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| J | 0046872 | molecular_function | metal ion binding |
| J | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| K | 0009055 | molecular_function | electron transfer activity |
| K | 0009061 | biological_process | anaerobic respiration |
| K | 0016491 | molecular_function | oxidoreductase activity |
| K | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| K | 0030151 | molecular_function | molybdenum ion binding |
| K | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| K | 0043546 | molecular_function | molybdopterin cofactor binding |
| K | 0046872 | molecular_function | metal ion binding |
| L | 0016491 | molecular_function | oxidoreductase activity |
| L | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| L | 0046872 | molecular_function | metal ion binding |
| L | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| M | 0009055 | molecular_function | electron transfer activity |
| M | 0009061 | biological_process | anaerobic respiration |
| M | 0016491 | molecular_function | oxidoreductase activity |
| M | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| M | 0030151 | molecular_function | molybdenum ion binding |
| M | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| M | 0043546 | molecular_function | molybdopterin cofactor binding |
| M | 0046872 | molecular_function | metal ion binding |
| N | 0016491 | molecular_function | oxidoreductase activity |
| N | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| N | 0046872 | molecular_function | metal ion binding |
| N | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| O | 0009055 | molecular_function | electron transfer activity |
| O | 0009061 | biological_process | anaerobic respiration |
| O | 0016491 | molecular_function | oxidoreductase activity |
| O | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| O | 0030151 | molecular_function | molybdenum ion binding |
| O | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| O | 0043546 | molecular_function | molybdopterin cofactor binding |
| O | 0046872 | molecular_function | metal ion binding |
| P | 0016491 | molecular_function | oxidoreductase activity |
| P | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| P | 0046872 | molecular_function | metal ion binding |
| P | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| Q | 0009055 | molecular_function | electron transfer activity |
| Q | 0009061 | biological_process | anaerobic respiration |
| Q | 0016491 | molecular_function | oxidoreductase activity |
| Q | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| Q | 0030151 | molecular_function | molybdenum ion binding |
| Q | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| Q | 0043546 | molecular_function | molybdopterin cofactor binding |
| Q | 0046872 | molecular_function | metal ion binding |
| R | 0016491 | molecular_function | oxidoreductase activity |
| R | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| R | 0046872 | molecular_function | metal ion binding |
| R | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| S | 0009055 | molecular_function | electron transfer activity |
| S | 0009061 | biological_process | anaerobic respiration |
| S | 0016491 | molecular_function | oxidoreductase activity |
| S | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| S | 0030151 | molecular_function | molybdenum ion binding |
| S | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| S | 0043546 | molecular_function | molybdopterin cofactor binding |
| S | 0046872 | molecular_function | metal ion binding |
| T | 0016491 | molecular_function | oxidoreductase activity |
| T | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| T | 0046872 | molecular_function | metal ion binding |
| T | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| U | 0009055 | molecular_function | electron transfer activity |
| U | 0009061 | biological_process | anaerobic respiration |
| U | 0016491 | molecular_function | oxidoreductase activity |
| U | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| U | 0030151 | molecular_function | molybdenum ion binding |
| U | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| U | 0043546 | molecular_function | molybdopterin cofactor binding |
| U | 0046872 | molecular_function | metal ion binding |
| V | 0016491 | molecular_function | oxidoreductase activity |
| V | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| V | 0046872 | molecular_function | metal ion binding |
| V | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| W | 0009055 | molecular_function | electron transfer activity |
| W | 0009061 | biological_process | anaerobic respiration |
| W | 0016491 | molecular_function | oxidoreductase activity |
| W | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| W | 0030151 | molecular_function | molybdenum ion binding |
| W | 0030288 | cellular_component | outer membrane-bounded periplasmic space |
| W | 0043546 | molecular_function | molybdopterin cofactor binding |
| W | 0046872 | molecular_function | metal ion binding |
| X | 0016491 | molecular_function | oxidoreductase activity |
| X | 0018706 | molecular_function | pyrogallol hydroxytransferase activity |
| X | 0046872 | molecular_function | metal ion binding |
| X | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 901 |
| Chain | Residue |
| A | TRP339 |
| A | ALA340 |
| A | LYS342 |
| A | GLN377 |
| A | HOH1445 |
| site_id | AC2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD A 902 |
| Chain | Residue |
| A | MET146 |
| A | ASP174 |
| A | SER175 |
| A | ARG359 |
| A | TYR496 |
| A | GLY498 |
| A | PRO499 |
| A | THR503 |
| A | GLN525 |
| A | TRP528 |
| A | ALA542 |
| A | ASP589 |
| A | SER736 |
| A | HIS738 |
| A | HIS744 |
| A | THR745 |
| A | MET746 |
| A | GLU818 |
| A | ASN840 |
| A | MET855 |
| A | ASN857 |
| A | ASN858 |
| A | MGD903 |
| A | 4MO904 |
| A | BTT905 |
| A | HOH1110 |
| A | HOH1150 |
| A | HOH1305 |
| A | HOH1377 |
| A | HOH1513 |
| A | SER142 |
| A | SER143 |
| A | HIS144 |
| A | HIS145 |
| site_id | AC3 |
| Number of Residues | 37 |
| Details | binding site for residue MGD A 903 |
| Chain | Residue |
| A | TYR62 |
| A | HIS144 |
| A | SER175 |
| A | TRP215 |
| A | SER216 |
| A | SER217 |
| A | ASP218 |
| A | THR221 |
| A | ASN222 |
| A | GLY224 |
| A | ILE248 |
| A | ASP249 |
| A | PRO250 |
| A | HIS251 |
| A | ASP271 |
| A | GLY350 |
| A | TRP354 |
| A | GLY355 |
| A | GLY356 |
| A | ALA357 |
| A | ARG359 |
| A | HIS362 |
| A | LEU735 |
| A | PRO737 |
| A | HIS738 |
| A | PRO739 |
| A | ARG740 |
| A | SER742 |
| A | HIS744 |
| A | MGD902 |
| A | 4MO904 |
| A | BTT905 |
| A | HOH1004 |
| A | HOH1029 |
| A | HOH1047 |
| A | HOH1284 |
| A | HOH1326 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO A 904 |
| Chain | Residue |
| A | SER175 |
| A | MGD902 |
| A | MGD903 |
| A | BTT905 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | binding site for residue BTT A 905 |
| Chain | Residue |
| A | SER143 |
| A | HIS144 |
| A | ASP174 |
| A | SER175 |
| A | TYR404 |
| A | CYS557 |
| A | TYR560 |
| A | ILE561 |
| A | MGD902 |
| A | MGD903 |
| A | 4MO904 |
| A | HOH1027 |
| A | HOH1453 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 301 |
| Chain | Residue |
| A | ARG257 |
| A | HOH1039 |
| B | ILE61 |
| B | ASN62 |
| B | HOH476 |
| B | HOH539 |
| site_id | AC7 |
| Number of Residues | 13 |
| Details | binding site for residue SF4 B 302 |
| Chain | Residue |
| B | CYS13 |
| B | GLN14 |
| B | ASP15 |
| B | CYS16 |
| B | ASN17 |
| B | ASN18 |
| B | CYS19 |
| B | ILE48 |
| B | PRO65 |
| B | CYS149 |
| B | SER151 |
| B | VAL153 |
| B | TYR154 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 B 303 |
| Chain | Residue |
| B | CYS23 |
| B | MET46 |
| B | CYS126 |
| B | THR127 |
| B | MET128 |
| B | CYS129 |
| B | PRO143 |
| B | CYS145 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | binding site for residue SF4 B 304 |
| Chain | Residue |
| B | CYS68 |
| B | MET69 |
| B | HIS70 |
| B | CYS71 |
| B | PRO75 |
| B | CYS76 |
| B | CYS109 |
| B | PRO110 |
| B | TYR111 |
| B | VAL113 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue CA C 901 |
| Chain | Residue |
| C | TRP339 |
| C | ALA340 |
| C | LYS342 |
| C | GLN377 |
| C | HOH1450 |
| site_id | AD2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD C 902 |
| Chain | Residue |
| C | SER142 |
| C | SER143 |
| C | HIS144 |
| C | HIS145 |
| C | MET146 |
| C | ASP174 |
| C | SER175 |
| C | ARG359 |
| C | TYR496 |
| C | GLY498 |
| C | PRO499 |
| C | THR503 |
| C | GLN525 |
| C | SER526 |
| C | TRP528 |
| C | ALA542 |
| C | ASP589 |
| C | SER736 |
| C | HIS738 |
| C | HIS744 |
| C | THR745 |
| C | MET746 |
| C | GLU818 |
| C | ASN840 |
| C | MET855 |
| C | ASN857 |
| C | ASN858 |
| C | MGD903 |
| C | 4MO904 |
| C | BTT905 |
| C | HOH1110 |
| C | HOH1150 |
| C | HOH1308 |
| C | HOH1382 |
| site_id | AD3 |
| Number of Residues | 39 |
| Details | binding site for residue MGD C 903 |
| Chain | Residue |
| C | TYR62 |
| C | HIS144 |
| C | SER175 |
| C | TRP215 |
| C | SER216 |
| C | ASP218 |
| C | THR221 |
| C | ASN222 |
| C | GLY224 |
| C | ILE225 |
| C | ILE248 |
| C | ASP249 |
| C | PRO250 |
| C | HIS251 |
| C | ASN253 |
| C | ASP271 |
| C | GLY349 |
| C | GLY350 |
| C | TRP354 |
| C | GLY355 |
| C | GLY356 |
| C | ALA357 |
| C | ARG359 |
| C | HIS362 |
| C | LEU735 |
| C | PRO737 |
| C | HIS738 |
| C | PRO739 |
| C | ARG740 |
| C | SER742 |
| C | HIS744 |
| C | MGD902 |
| C | 4MO904 |
| C | BTT905 |
| C | HOH1004 |
| C | HOH1029 |
| C | HOH1047 |
| C | HOH1287 |
| C | HOH1329 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO C 904 |
| Chain | Residue |
| C | SER175 |
| C | MGD902 |
| C | MGD903 |
| C | BTT905 |
| site_id | AD5 |
| Number of Residues | 16 |
| Details | binding site for residue BTT C 905 |
| Chain | Residue |
| C | SER143 |
| C | HIS144 |
| C | ASP174 |
| C | SER175 |
| C | TRP176 |
| C | ILE225 |
| C | TYR404 |
| C | PHE468 |
| C | CYS557 |
| C | TYR560 |
| C | ILE561 |
| C | MGD902 |
| C | MGD903 |
| C | 4MO904 |
| C | HOH1027 |
| C | HOH1458 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue CA D 301 |
| Chain | Residue |
| C | ARG257 |
| C | HOH1039 |
| D | ILE61 |
| D | ASN62 |
| D | HOH971 |
| D | HOH1036 |
| site_id | AD7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 D 302 |
| Chain | Residue |
| D | CYS13 |
| D | GLN14 |
| D | ASP15 |
| D | CYS16 |
| D | ASN17 |
| D | ASN18 |
| D | CYS19 |
| D | PRO65 |
| D | CYS149 |
| D | SER151 |
| D | TYR154 |
| site_id | AD8 |
| Number of Residues | 10 |
| Details | binding site for residue SF4 D 303 |
| Chain | Residue |
| D | CYS23 |
| D | HIS27 |
| D | MET46 |
| D | CYS126 |
| D | THR127 |
| D | MET128 |
| D | CYS129 |
| D | PRO143 |
| D | ARG144 |
| D | CYS145 |
| site_id | AD9 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 D 304 |
| Chain | Residue |
| D | CYS68 |
| D | MET69 |
| D | HIS70 |
| D | CYS71 |
| D | PRO75 |
| D | CYS76 |
| D | CYS109 |
| D | VAL113 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue CA E 901 |
| Chain | Residue |
| E | TRP339 |
| E | ALA340 |
| E | LYS342 |
| E | GLN377 |
| E | HOH1451 |
| site_id | AE2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD E 902 |
| Chain | Residue |
| E | SER142 |
| E | SER143 |
| E | HIS144 |
| E | HIS145 |
| E | MET146 |
| E | ASP174 |
| E | SER175 |
| E | ARG359 |
| E | TYR496 |
| E | GLY498 |
| E | PRO499 |
| E | THR503 |
| E | GLN525 |
| E | ILE527 |
| E | TRP528 |
| E | ALA542 |
| E | ASP589 |
| E | SER736 |
| E | HIS738 |
| E | HIS744 |
| E | THR745 |
| E | MET746 |
| E | GLU818 |
| E | ASN840 |
| E | MET855 |
| E | ASN857 |
| E | ASN858 |
| E | MGD903 |
| E | 4MO904 |
| E | BTT905 |
| E | HOH1112 |
| E | HOH1152 |
| E | HOH1308 |
| E | HOH1382 |
| site_id | AE3 |
| Number of Residues | 38 |
| Details | binding site for residue MGD E 903 |
| Chain | Residue |
| E | TYR62 |
| E | HIS144 |
| E | SER175 |
| E | TRP215 |
| E | SER216 |
| E | SER217 |
| E | ASP218 |
| E | THR221 |
| E | ASN222 |
| E | GLY224 |
| E | ILE225 |
| E | ILE248 |
| E | ASP249 |
| E | PRO250 |
| E | ASP271 |
| E | GLY349 |
| E | GLY350 |
| E | TRP354 |
| E | GLY355 |
| E | GLY356 |
| E | ALA357 |
| E | ARG359 |
| E | HIS362 |
| E | LEU735 |
| E | PRO737 |
| E | HIS738 |
| E | PRO739 |
| E | ARG740 |
| E | SER742 |
| E | HIS744 |
| E | MGD902 |
| E | 4MO904 |
| E | BTT905 |
| E | HOH1004 |
| E | HOH1029 |
| E | HOH1047 |
| E | HOH1287 |
| E | HOH1329 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO E 904 |
| Chain | Residue |
| E | SER175 |
| E | MGD902 |
| E | MGD903 |
| E | BTT905 |
| site_id | AE5 |
| Number of Residues | 14 |
| Details | binding site for residue BTT E 905 |
| Chain | Residue |
| E | SER143 |
| E | HIS144 |
| E | ASP174 |
| E | SER175 |
| E | TRP176 |
| E | ILE225 |
| E | TYR404 |
| E | TYR560 |
| E | ILE561 |
| E | MGD902 |
| E | MGD903 |
| E | 4MO904 |
| E | HOH1027 |
| E | HOH1459 |
| site_id | AE6 |
| Number of Residues | 7 |
| Details | binding site for residue CA F 301 |
| Chain | Residue |
| E | ARG257 |
| E | HOH1039 |
| E | HOH1364 |
| F | ILE61 |
| F | ASN62 |
| F | HOH481 |
| F | HOH534 |
| site_id | AE7 |
| Number of Residues | 12 |
| Details | binding site for residue SF4 F 302 |
| Chain | Residue |
| F | CYS13 |
| F | GLN14 |
| F | ASP15 |
| F | CYS16 |
| F | ASN17 |
| F | ASN18 |
| F | CYS19 |
| F | ILE48 |
| F | PRO65 |
| F | CYS149 |
| F | SER151 |
| F | TYR154 |
| site_id | AE8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 F 303 |
| Chain | Residue |
| F | CYS23 |
| F | HIS27 |
| F | MET46 |
| F | CYS126 |
| F | THR127 |
| F | MET128 |
| F | CYS129 |
| F | PRO143 |
| F | CYS145 |
| site_id | AE9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 F 304 |
| Chain | Residue |
| F | CYS68 |
| F | MET69 |
| F | HIS70 |
| F | CYS71 |
| F | PRO75 |
| F | CYS76 |
| F | CYS109 |
| F | TYR111 |
| F | VAL113 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue CA G 901 |
| Chain | Residue |
| G | TRP339 |
| G | ALA340 |
| G | LYS342 |
| G | GLN377 |
| G | HOH1447 |
| site_id | AF2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD G 902 |
| Chain | Residue |
| G | SER142 |
| G | SER143 |
| G | HIS144 |
| G | HIS145 |
| G | MET146 |
| G | ASP174 |
| G | SER175 |
| G | ARG359 |
| G | TYR496 |
| G | GLY498 |
| G | PRO499 |
| G | THR503 |
| G | GLN525 |
| G | ILE527 |
| G | ALA542 |
| G | ASP589 |
| G | SER736 |
| G | HIS738 |
| G | HIS744 |
| G | THR745 |
| G | MET746 |
| G | GLU818 |
| G | ASN840 |
| G | MET855 |
| G | ASN857 |
| G | ASN858 |
| G | MGD903 |
| G | 4MO904 |
| G | BTT905 |
| G | HOH1111 |
| G | HOH1151 |
| G | HOH1306 |
| G | HOH1380 |
| G | HOH1515 |
| site_id | AF3 |
| Number of Residues | 38 |
| Details | binding site for residue MGD G 903 |
| Chain | Residue |
| G | TYR62 |
| G | HIS144 |
| G | SER175 |
| G | TRP215 |
| G | SER216 |
| G | SER217 |
| G | ASP218 |
| G | THR221 |
| G | ASN222 |
| G | GLY224 |
| G | ILE248 |
| G | ASP249 |
| G | PRO250 |
| G | HIS251 |
| G | ASN253 |
| G | ASP271 |
| G | GLY350 |
| G | TRP354 |
| G | GLY355 |
| G | GLY356 |
| G | ALA357 |
| G | ARG359 |
| G | HIS362 |
| G | LEU735 |
| G | PRO737 |
| G | HIS738 |
| G | PRO739 |
| G | ARG740 |
| G | SER742 |
| G | HIS744 |
| G | MGD902 |
| G | 4MO904 |
| G | BTT905 |
| G | HOH1004 |
| G | HOH1029 |
| G | HOH1047 |
| G | HOH1285 |
| G | HOH1327 |
| site_id | AF4 |
| Number of Residues | 5 |
| Details | binding site for residue 4MO G 904 |
| Chain | Residue |
| G | ASP174 |
| G | SER175 |
| G | MGD902 |
| G | MGD903 |
| G | BTT905 |
| site_id | AF5 |
| Number of Residues | 13 |
| Details | binding site for residue BTT G 905 |
| Chain | Residue |
| G | SER143 |
| G | HIS144 |
| G | ASP174 |
| G | SER175 |
| G | TRP176 |
| G | TYR404 |
| G | TYR560 |
| G | ILE561 |
| G | MGD902 |
| G | MGD903 |
| G | 4MO904 |
| G | HOH1027 |
| G | HOH1455 |
| site_id | AF6 |
| Number of Residues | 7 |
| Details | binding site for residue CA H 301 |
| Chain | Residue |
| G | ARG257 |
| G | HOH1039 |
| H | ILE61 |
| H | ASN62 |
| H | HOH473 |
| H | HOH484 |
| H | HOH536 |
| site_id | AF7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 H 302 |
| Chain | Residue |
| H | CYS13 |
| H | GLN14 |
| H | ASP15 |
| H | CYS16 |
| H | ASN17 |
| H | ASN18 |
| H | CYS19 |
| H | PRO65 |
| H | CYS149 |
| H | SER151 |
| H | TYR154 |
| site_id | AF8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 H 303 |
| Chain | Residue |
| H | CYS23 |
| H | HIS27 |
| H | MET46 |
| H | CYS126 |
| H | THR127 |
| H | MET128 |
| H | CYS129 |
| H | PRO143 |
| H | CYS145 |
| site_id | AF9 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 H 304 |
| Chain | Residue |
| H | CYS68 |
| H | MET69 |
| H | CYS71 |
| H | PRO75 |
| H | CYS76 |
| H | CYS109 |
| H | TYR111 |
| H | VAL113 |
| site_id | AG1 |
| Number of Residues | 6 |
| Details | binding site for residue CA I 901 |
| Chain | Residue |
| I | TRP339 |
| I | ALA340 |
| I | LYS342 |
| I | GLN377 |
| I | HOH1444 |
| I | HOH1611 |
| site_id | AG2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD I 902 |
| Chain | Residue |
| I | SER142 |
| I | SER143 |
| I | HIS144 |
| I | HIS145 |
| I | MET146 |
| I | ASP174 |
| I | SER175 |
| I | ARG359 |
| I | TYR496 |
| I | GLY498 |
| I | PRO499 |
| I | THR503 |
| I | GLN525 |
| I | TRP528 |
| I | ALA542 |
| I | ASP589 |
| I | SER736 |
| I | HIS738 |
| I | HIS744 |
| I | THR745 |
| I | MET746 |
| I | GLU818 |
| I | ASN840 |
| I | MET855 |
| I | ASN857 |
| I | ASN858 |
| I | MGD903 |
| I | 4MO904 |
| I | BTT905 |
| I | HOH1110 |
| I | HOH1150 |
| I | HOH1303 |
| I | HOH1376 |
| I | HOH1512 |
| site_id | AG3 |
| Number of Residues | 39 |
| Details | binding site for residue MGD I 903 |
| Chain | Residue |
| I | TYR62 |
| I | HIS144 |
| I | SER175 |
| I | TRP215 |
| I | SER216 |
| I | ASP218 |
| I | THR221 |
| I | ASN222 |
| I | GLY224 |
| I | ILE225 |
| I | ILE248 |
| I | ASP249 |
| I | PRO250 |
| I | HIS251 |
| I | ASN253 |
| I | ASP271 |
| I | GLY350 |
| I | TRP354 |
| I | GLY355 |
| I | GLY356 |
| I | ALA357 |
| I | ARG359 |
| I | HIS362 |
| I | LEU735 |
| I | PRO737 |
| I | HIS738 |
| I | PRO739 |
| I | ARG740 |
| I | SER742 |
| I | MET743 |
| I | HIS744 |
| I | MGD902 |
| I | 4MO904 |
| I | BTT905 |
| I | HOH1004 |
| I | HOH1028 |
| I | HOH1046 |
| I | HOH1282 |
| I | HOH1324 |
| site_id | AG4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO I 904 |
| Chain | Residue |
| I | SER175 |
| I | MGD902 |
| I | MGD903 |
| I | BTT905 |
| site_id | AG5 |
| Number of Residues | 13 |
| Details | binding site for residue BTT I 905 |
| Chain | Residue |
| I | SER143 |
| I | HIS144 |
| I | ASP174 |
| I | SER175 |
| I | TRP176 |
| I | TYR404 |
| I | TYR560 |
| I | ILE561 |
| I | MGD902 |
| I | MGD903 |
| I | 4MO904 |
| I | HOH1026 |
| I | HOH1452 |
| site_id | AG6 |
| Number of Residues | 7 |
| Details | binding site for residue CA J 301 |
| Chain | Residue |
| I | ARG257 |
| I | HOH1038 |
| J | ILE61 |
| J | ASN62 |
| J | HOH974 |
| J | HOH984 |
| J | HOH1037 |
| site_id | AG7 |
| Number of Residues | 12 |
| Details | binding site for residue SF4 J 302 |
| Chain | Residue |
| J | CYS13 |
| J | GLN14 |
| J | ASP15 |
| J | CYS16 |
| J | ASN17 |
| J | ASN18 |
| J | CYS19 |
| J | ILE48 |
| J | PRO65 |
| J | CYS149 |
| J | SER151 |
| J | TYR154 |
| site_id | AG8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 J 303 |
| Chain | Residue |
| J | CYS23 |
| J | HIS27 |
| J | MET46 |
| J | CYS126 |
| J | THR127 |
| J | MET128 |
| J | CYS129 |
| J | PRO143 |
| J | CYS145 |
| site_id | AG9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 J 304 |
| Chain | Residue |
| J | CYS68 |
| J | MET69 |
| J | HIS70 |
| J | CYS71 |
| J | PRO75 |
| J | CYS76 |
| J | CYS109 |
| J | TYR111 |
| J | VAL113 |
| site_id | AH1 |
| Number of Residues | 6 |
| Details | binding site for residue CA K 901 |
| Chain | Residue |
| K | TRP339 |
| K | ALA340 |
| K | LYS342 |
| K | GLN377 |
| K | HOH1443 |
| K | HOH1611 |
| site_id | AH2 |
| Number of Residues | 35 |
| Details | binding site for residue MGD K 902 |
| Chain | Residue |
| K | SER142 |
| K | SER143 |
| K | HIS144 |
| K | HIS145 |
| K | MET146 |
| K | ASP174 |
| K | SER175 |
| K | ARG359 |
| K | TYR496 |
| K | GLY498 |
| K | PRO499 |
| K | THR503 |
| K | GLN525 |
| K | SER526 |
| K | ILE527 |
| K | ALA542 |
| K | ASP589 |
| K | SER736 |
| K | HIS738 |
| K | HIS744 |
| K | THR745 |
| K | MET746 |
| K | GLU818 |
| K | ASN840 |
| K | MET855 |
| K | ASN857 |
| K | ASN858 |
| K | MGD903 |
| K | 4MO904 |
| K | BTT905 |
| K | HOH1108 |
| K | HOH1147 |
| K | HOH1302 |
| K | HOH1375 |
| K | HOH1511 |
| site_id | AH3 |
| Number of Residues | 38 |
| Details | binding site for residue MGD K 903 |
| Chain | Residue |
| K | TYR62 |
| K | HIS144 |
| K | SER175 |
| K | TRP215 |
| K | SER216 |
| K | SER217 |
| K | ASP218 |
| K | THR221 |
| K | ASN222 |
| K | GLY224 |
| K | ILE248 |
| K | ASP249 |
| K | PRO250 |
| K | HIS251 |
| K | ASP271 |
| K | GLY350 |
| K | TRP354 |
| K | GLY355 |
| K | GLY356 |
| K | ALA357 |
| K | ARG359 |
| K | HIS362 |
| K | LEU735 |
| K | PRO737 |
| K | HIS738 |
| K | PRO739 |
| K | ARG740 |
| K | SER742 |
| K | MET743 |
| K | HIS744 |
| K | MGD902 |
| K | 4MO904 |
| K | BTT905 |
| K | HOH1004 |
| K | HOH1028 |
| K | HOH1045 |
| K | HOH1281 |
| K | HOH1323 |
| site_id | AH4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO K 904 |
| Chain | Residue |
| K | SER175 |
| K | MGD902 |
| K | MGD903 |
| K | BTT905 |
| site_id | AH5 |
| Number of Residues | 15 |
| Details | binding site for residue BTT K 905 |
| Chain | Residue |
| K | SER143 |
| K | HIS144 |
| K | ASP174 |
| K | SER175 |
| K | TRP176 |
| K | ILE225 |
| K | TYR404 |
| K | PHE468 |
| K | TYR560 |
| K | ILE561 |
| K | MGD902 |
| K | MGD903 |
| K | 4MO904 |
| K | HOH1026 |
| K | HOH1451 |
| site_id | AH6 |
| Number of Residues | 7 |
| Details | binding site for residue CA L 301 |
| Chain | Residue |
| K | ARG257 |
| K | HOH1038 |
| K | HOH1357 |
| L | ILE61 |
| L | ASN62 |
| L | HOH486 |
| L | HOH540 |
| site_id | AH7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 L 302 |
| Chain | Residue |
| L | CYS13 |
| L | GLN14 |
| L | ASP15 |
| L | CYS16 |
| L | ASN17 |
| L | ASN18 |
| L | CYS19 |
| L | PRO65 |
| L | CYS149 |
| L | SER151 |
| L | TYR154 |
| site_id | AH8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 L 303 |
| Chain | Residue |
| L | CYS23 |
| L | HIS27 |
| L | MET46 |
| L | CYS126 |
| L | THR127 |
| L | MET128 |
| L | CYS129 |
| L | PRO143 |
| L | CYS145 |
| site_id | AH9 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 L 304 |
| Chain | Residue |
| L | CYS68 |
| L | MET69 |
| L | CYS71 |
| L | PRO75 |
| L | CYS76 |
| L | CYS109 |
| L | TYR111 |
| L | VAL113 |
| site_id | AI1 |
| Number of Residues | 6 |
| Details | binding site for residue CA M 901 |
| Chain | Residue |
| M | TRP339 |
| M | ALA340 |
| M | LYS342 |
| M | GLN377 |
| M | HOH1448 |
| M | HOH1668 |
| site_id | AI2 |
| Number of Residues | 35 |
| Details | binding site for residue MGD M 902 |
| Chain | Residue |
| M | SER142 |
| M | SER143 |
| M | HIS144 |
| M | HIS145 |
| M | MET146 |
| M | ASP174 |
| M | SER175 |
| M | ARG359 |
| M | TYR496 |
| M | GLY498 |
| M | PRO499 |
| M | THR503 |
| M | GLN525 |
| M | SER526 |
| M | ILE527 |
| M | ALA542 |
| M | ASP589 |
| M | SER736 |
| M | HIS738 |
| M | HIS744 |
| M | THR745 |
| M | MET746 |
| M | GLU818 |
| M | ASN840 |
| M | MET855 |
| M | ASN857 |
| M | ASN858 |
| M | MGD903 |
| M | 4MO904 |
| M | BTT905 |
| M | HOH1111 |
| M | HOH1151 |
| M | HOH1306 |
| M | HOH1380 |
| M | HOH1515 |
| site_id | AI3 |
| Number of Residues | 40 |
| Details | binding site for residue MGD M 903 |
| Chain | Residue |
| M | TYR62 |
| M | HIS144 |
| M | SER175 |
| M | TRP215 |
| M | SER216 |
| M | ASP218 |
| M | THR221 |
| M | ASN222 |
| M | GLY224 |
| M | ILE248 |
| M | ASP249 |
| M | PRO250 |
| M | HIS251 |
| M | ASN253 |
| M | ASP271 |
| M | GLY349 |
| M | GLY350 |
| M | TRP354 |
| M | GLY355 |
| M | GLY356 |
| M | ALA357 |
| M | ARG359 |
| M | HIS362 |
| M | LEU735 |
| M | PRO737 |
| M | HIS738 |
| M | PRO739 |
| M | ARG740 |
| M | SER742 |
| M | MET743 |
| M | HIS744 |
| M | MGD902 |
| M | 4MO904 |
| M | BTT905 |
| M | HOH1004 |
| M | HOH1029 |
| M | HOH1047 |
| M | HOH1285 |
| M | HOH1328 |
| M | HOH1356 |
| site_id | AI4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO M 904 |
| Chain | Residue |
| M | SER175 |
| M | MGD902 |
| M | MGD903 |
| M | BTT905 |
| site_id | AI5 |
| Number of Residues | 14 |
| Details | binding site for residue BTT M 905 |
| Chain | Residue |
| M | SER143 |
| M | HIS144 |
| M | ASP174 |
| M | SER175 |
| M | TRP176 |
| M | ILE225 |
| M | TYR404 |
| M | TYR560 |
| M | ILE561 |
| M | MGD902 |
| M | MGD903 |
| M | 4MO904 |
| M | HOH1027 |
| M | HOH1456 |
| site_id | AI6 |
| Number of Residues | 6 |
| Details | binding site for residue CA N 301 |
| Chain | Residue |
| M | ARG257 |
| M | HOH1039 |
| N | ILE61 |
| N | ASN62 |
| N | HOH971 |
| N | HOH1035 |
| site_id | AI7 |
| Number of Residues | 12 |
| Details | binding site for residue SF4 N 302 |
| Chain | Residue |
| N | CYS13 |
| N | GLN14 |
| N | ASP15 |
| N | CYS16 |
| N | ASN17 |
| N | ASN18 |
| N | CYS19 |
| N | ILE48 |
| N | PRO65 |
| N | CYS149 |
| N | SER151 |
| N | TYR154 |
| site_id | AI8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 N 303 |
| Chain | Residue |
| N | CYS23 |
| N | HIS27 |
| N | MET46 |
| N | CYS126 |
| N | THR127 |
| N | MET128 |
| N | CYS129 |
| N | PRO143 |
| N | CYS145 |
| site_id | AI9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 N 304 |
| Chain | Residue |
| N | CYS68 |
| N | MET69 |
| N | HIS70 |
| N | CYS71 |
| N | PRO75 |
| N | CYS76 |
| N | CYS109 |
| N | TYR111 |
| N | VAL113 |
| site_id | AJ1 |
| Number of Residues | 6 |
| Details | binding site for residue CA O 901 |
| Chain | Residue |
| O | TRP339 |
| O | ALA340 |
| O | LYS342 |
| O | GLN377 |
| O | HOH1445 |
| O | HOH1667 |
| site_id | AJ2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD O 902 |
| Chain | Residue |
| O | SER142 |
| O | SER143 |
| O | HIS144 |
| O | HIS145 |
| O | MET146 |
| O | ASP174 |
| O | SER175 |
| O | ARG359 |
| O | TYR496 |
| O | GLY498 |
| O | PRO499 |
| O | THR503 |
| O | GLN525 |
| O | ILE527 |
| O | TRP528 |
| O | ALA542 |
| O | ASP589 |
| O | SER736 |
| O | HIS738 |
| O | HIS744 |
| O | THR745 |
| O | MET746 |
| O | GLU818 |
| O | ASN840 |
| O | MET855 |
| O | ASN857 |
| O | ASN858 |
| O | MGD903 |
| O | 4MO904 |
| O | BTT905 |
| O | HOH1110 |
| O | HOH1150 |
| O | HOH1304 |
| O | HOH1377 |
| site_id | AJ3 |
| Number of Residues | 36 |
| Details | binding site for residue MGD O 903 |
| Chain | Residue |
| O | HOH1046 |
| O | HOH1283 |
| O | HOH1325 |
| O | TYR62 |
| O | HIS144 |
| O | SER175 |
| O | TRP215 |
| O | SER216 |
| O | ASP218 |
| O | THR221 |
| O | ASN222 |
| O | GLY224 |
| O | ILE248 |
| O | ASP249 |
| O | PRO250 |
| O | HIS251 |
| O | ASP271 |
| O | GLY350 |
| O | TRP354 |
| O | GLY355 |
| O | GLY356 |
| O | ALA357 |
| O | ARG359 |
| O | HIS362 |
| O | LEU735 |
| O | PRO737 |
| O | HIS738 |
| O | PRO739 |
| O | ARG740 |
| O | SER742 |
| O | HIS744 |
| O | MGD902 |
| O | 4MO904 |
| O | BTT905 |
| O | HOH1004 |
| O | HOH1028 |
| site_id | AJ4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO O 904 |
| Chain | Residue |
| O | SER175 |
| O | MGD902 |
| O | MGD903 |
| O | BTT905 |
| site_id | AJ5 |
| Number of Residues | 15 |
| Details | binding site for residue BTT O 905 |
| Chain | Residue |
| O | SER143 |
| O | HIS144 |
| O | ASP174 |
| O | SER175 |
| O | TRP176 |
| O | ILE225 |
| O | TYR404 |
| O | PHE468 |
| O | CYS557 |
| O | TYR560 |
| O | ILE561 |
| O | MGD902 |
| O | MGD903 |
| O | 4MO904 |
| O | HOH1453 |
| site_id | AJ6 |
| Number of Residues | 6 |
| Details | binding site for residue CA P 301 |
| Chain | Residue |
| O | ARG257 |
| O | HOH1038 |
| P | ILE61 |
| P | ASN62 |
| P | HOH474 |
| P | HOH536 |
| site_id | AJ7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 P 302 |
| Chain | Residue |
| P | CYS13 |
| P | GLN14 |
| P | ASP15 |
| P | CYS16 |
| P | ASN17 |
| P | ASN18 |
| P | CYS19 |
| P | PRO65 |
| P | CYS149 |
| P | SER151 |
| P | TYR154 |
| site_id | AJ8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 P 303 |
| Chain | Residue |
| P | CYS23 |
| P | HIS27 |
| P | MET46 |
| P | CYS126 |
| P | THR127 |
| P | MET128 |
| P | CYS129 |
| P | PRO143 |
| P | CYS145 |
| site_id | AJ9 |
| Number of Residues | 10 |
| Details | binding site for residue SF4 P 304 |
| Chain | Residue |
| P | CYS68 |
| P | MET69 |
| P | CYS71 |
| P | ALA74 |
| P | PRO75 |
| P | CYS76 |
| P | CYS109 |
| P | PRO110 |
| P | TYR111 |
| P | VAL113 |
| site_id | AK1 |
| Number of Residues | 6 |
| Details | binding site for residue CA Q 901 |
| Chain | Residue |
| Q | TRP339 |
| Q | ALA340 |
| Q | LYS342 |
| Q | GLN377 |
| Q | HOH1446 |
| Q | HOH1613 |
| site_id | AK2 |
| Number of Residues | 33 |
| Details | binding site for residue MGD Q 902 |
| Chain | Residue |
| Q | SER142 |
| Q | SER143 |
| Q | HIS144 |
| Q | HIS145 |
| Q | MET146 |
| Q | ASP174 |
| Q | SER175 |
| Q | ARG359 |
| Q | TYR496 |
| Q | GLY498 |
| Q | PRO499 |
| Q | THR503 |
| Q | GLN525 |
| Q | TRP528 |
| Q | ALA542 |
| Q | ASP589 |
| Q | SER736 |
| Q | HIS738 |
| Q | HIS744 |
| Q | THR745 |
| Q | MET746 |
| Q | GLU818 |
| Q | ASN840 |
| Q | MET855 |
| Q | ASN857 |
| Q | ASN858 |
| Q | MGD903 |
| Q | 4MO904 |
| Q | BTT905 |
| Q | HOH1110 |
| Q | HOH1150 |
| Q | HOH1304 |
| Q | HOH1379 |
| site_id | AK3 |
| Number of Residues | 39 |
| Details | binding site for residue MGD Q 903 |
| Chain | Residue |
| Q | TYR62 |
| Q | HIS144 |
| Q | SER175 |
| Q | TRP215 |
| Q | SER216 |
| Q | ASP218 |
| Q | THR221 |
| Q | ASN222 |
| Q | GLY224 |
| Q | ILE225 |
| Q | ILE248 |
| Q | ASP249 |
| Q | PRO250 |
| Q | HIS251 |
| Q | ASP271 |
| Q | GLY350 |
| Q | TRP354 |
| Q | GLY355 |
| Q | GLY356 |
| Q | ALA357 |
| Q | ARG359 |
| Q | HIS362 |
| Q | LEU735 |
| Q | PRO737 |
| Q | HIS738 |
| Q | PRO739 |
| Q | ARG740 |
| Q | SER742 |
| Q | MET743 |
| Q | HIS744 |
| Q | MGD902 |
| Q | 4MO904 |
| Q | BTT905 |
| Q | HOH1004 |
| Q | HOH1028 |
| Q | HOH1046 |
| Q | HOH1283 |
| Q | HOH1326 |
| Q | HOH1355 |
| site_id | AK4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO Q 904 |
| Chain | Residue |
| Q | SER175 |
| Q | MGD902 |
| Q | MGD903 |
| Q | BTT905 |
| site_id | AK5 |
| Number of Residues | 15 |
| Details | binding site for residue BTT Q 905 |
| Chain | Residue |
| Q | SER143 |
| Q | HIS144 |
| Q | ASP174 |
| Q | SER175 |
| Q | TRP176 |
| Q | ILE225 |
| Q | TYR404 |
| Q | PHE468 |
| Q | TYR560 |
| Q | ILE561 |
| Q | MGD902 |
| Q | MGD903 |
| Q | 4MO904 |
| Q | HOH1026 |
| Q | HOH1454 |
| site_id | AK6 |
| Number of Residues | 7 |
| Details | binding site for residue CA R 301 |
| Chain | Residue |
| Q | ARG257 |
| Q | HOH1038 |
| R | ILE61 |
| R | ASN62 |
| R | HOH472 |
| R | HOH482 |
| R | HOH535 |
| site_id | AK7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 R 302 |
| Chain | Residue |
| R | CYS13 |
| R | GLN14 |
| R | ASP15 |
| R | CYS16 |
| R | ASN17 |
| R | ASN18 |
| R | CYS19 |
| R | PRO65 |
| R | CYS149 |
| R | SER151 |
| R | TYR154 |
| site_id | AK8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 R 303 |
| Chain | Residue |
| R | CYS23 |
| R | HIS27 |
| R | MET46 |
| R | CYS126 |
| R | THR127 |
| R | MET128 |
| R | CYS129 |
| R | PRO143 |
| R | CYS145 |
| site_id | AK9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 R 304 |
| Chain | Residue |
| R | CYS68 |
| R | MET69 |
| R | HIS70 |
| R | CYS71 |
| R | PRO75 |
| R | CYS76 |
| R | CYS109 |
| R | TYR111 |
| R | VAL113 |
| site_id | AL1 |
| Number of Residues | 5 |
| Details | binding site for residue CA S 901 |
| Chain | Residue |
| S | TRP339 |
| S | ALA340 |
| S | LYS342 |
| S | GLN377 |
| S | HOH1444 |
| site_id | AL2 |
| Number of Residues | 33 |
| Details | binding site for residue MGD S 902 |
| Chain | Residue |
| S | SER142 |
| S | SER143 |
| S | HIS144 |
| S | HIS145 |
| S | MET146 |
| S | ASP174 |
| S | SER175 |
| S | ARG359 |
| S | TYR496 |
| S | GLY498 |
| S | PRO499 |
| S | THR503 |
| S | GLN525 |
| S | ILE527 |
| S | ALA542 |
| S | ASP589 |
| S | SER736 |
| S | HIS738 |
| S | HIS744 |
| S | THR745 |
| S | MET746 |
| S | GLU818 |
| S | ASN840 |
| S | MET855 |
| S | ASN857 |
| S | ASN858 |
| S | MGD903 |
| S | 4MO904 |
| S | BTT905 |
| S | HOH1113 |
| S | HOH1152 |
| S | HOH1303 |
| S | HOH1376 |
| site_id | AL3 |
| Number of Residues | 39 |
| Details | binding site for residue MGD S 903 |
| Chain | Residue |
| S | TYR62 |
| S | HIS144 |
| S | SER175 |
| S | TRP215 |
| S | SER216 |
| S | ASP218 |
| S | THR221 |
| S | ASN222 |
| S | GLY224 |
| S | ILE225 |
| S | ILE248 |
| S | ASP249 |
| S | PRO250 |
| S | HIS251 |
| S | ASN253 |
| S | ASP271 |
| S | GLY350 |
| S | TRP354 |
| S | GLY355 |
| S | GLY356 |
| S | ALA357 |
| S | ARG359 |
| S | HIS362 |
| S | LEU735 |
| S | PRO737 |
| S | HIS738 |
| S | PRO739 |
| S | ARG740 |
| S | SER742 |
| S | HIS744 |
| S | MGD902 |
| S | 4MO904 |
| S | BTT905 |
| S | HOH1006 |
| S | HOH1031 |
| S | HOH1049 |
| S | HOH1282 |
| S | HOH1324 |
| S | HOH1352 |
| site_id | AL4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO S 904 |
| Chain | Residue |
| S | SER175 |
| S | MGD902 |
| S | MGD903 |
| S | BTT905 |
| site_id | AL5 |
| Number of Residues | 14 |
| Details | binding site for residue BTT S 905 |
| Chain | Residue |
| S | SER143 |
| S | HIS144 |
| S | ASP174 |
| S | SER175 |
| S | TRP176 |
| S | TYR404 |
| S | CYS557 |
| S | TYR560 |
| S | ILE561 |
| S | MGD902 |
| S | MGD903 |
| S | 4MO904 |
| S | HOH1029 |
| S | HOH1452 |
| site_id | AL6 |
| Number of Residues | 7 |
| Details | binding site for residue CA T 301 |
| Chain | Residue |
| S | ARG257 |
| S | HOH1041 |
| T | ILE61 |
| T | ASN62 |
| T | HOH974 |
| T | HOH983 |
| T | HOH1038 |
| site_id | AL7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 T 302 |
| Chain | Residue |
| T | CYS13 |
| T | GLN14 |
| T | ASP15 |
| T | CYS16 |
| T | ASN17 |
| T | ASN18 |
| T | CYS19 |
| T | PRO65 |
| T | CYS149 |
| T | SER151 |
| T | TYR154 |
| site_id | AL8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 T 303 |
| Chain | Residue |
| T | CYS23 |
| T | HIS27 |
| T | MET46 |
| T | CYS126 |
| T | THR127 |
| T | MET128 |
| T | CYS129 |
| T | PRO143 |
| T | CYS145 |
| site_id | AL9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 T 304 |
| Chain | Residue |
| T | CYS68 |
| T | MET69 |
| T | HIS70 |
| T | CYS71 |
| T | PRO75 |
| T | CYS76 |
| T | CYS109 |
| T | TYR111 |
| T | VAL113 |
| site_id | AM1 |
| Number of Residues | 6 |
| Details | binding site for residue CA U 901 |
| Chain | Residue |
| U | TRP339 |
| U | ALA340 |
| U | LYS342 |
| U | GLN377 |
| U | HOH1450 |
| U | HOH1610 |
| site_id | AM2 |
| Number of Residues | 34 |
| Details | binding site for residue MGD U 902 |
| Chain | Residue |
| U | SER142 |
| U | SER143 |
| U | HIS144 |
| U | HIS145 |
| U | MET146 |
| U | ASP174 |
| U | SER175 |
| U | ARG359 |
| U | TYR496 |
| U | GLY498 |
| U | PRO499 |
| U | THR503 |
| U | GLN525 |
| U | ILE527 |
| U | ALA542 |
| U | ASP589 |
| U | SER736 |
| U | HIS738 |
| U | HIS744 |
| U | THR745 |
| U | MET746 |
| U | GLU818 |
| U | ASN840 |
| U | MET855 |
| U | ASN857 |
| U | ASN858 |
| U | MGD903 |
| U | 4MO904 |
| U | BTT905 |
| U | HOH1114 |
| U | HOH1153 |
| U | HOH1307 |
| U | HOH1381 |
| U | HOH1516 |
| site_id | AM3 |
| Number of Residues | 38 |
| Details | binding site for residue MGD U 903 |
| Chain | Residue |
| U | TYR62 |
| U | HIS144 |
| U | SER175 |
| U | TRP215 |
| U | SER216 |
| U | ASP218 |
| U | THR221 |
| U | ASN222 |
| U | GLY224 |
| U | ILE248 |
| U | ASP249 |
| U | PRO250 |
| U | HIS251 |
| U | ASN253 |
| U | ASP271 |
| U | GLY350 |
| U | TRP354 |
| U | GLY355 |
| U | GLY356 |
| U | ALA357 |
| U | ARG359 |
| U | HIS362 |
| U | LEU735 |
| U | PRO737 |
| U | HIS738 |
| U | PRO739 |
| U | ARG740 |
| U | SER742 |
| U | MET743 |
| U | HIS744 |
| U | MGD902 |
| U | 4MO904 |
| U | BTT905 |
| U | HOH1007 |
| U | HOH1032 |
| U | HOH1050 |
| U | HOH1285 |
| U | HOH1328 |
| site_id | AM4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO U 904 |
| Chain | Residue |
| U | SER175 |
| U | MGD902 |
| U | MGD903 |
| U | BTT905 |
| site_id | AM5 |
| Number of Residues | 14 |
| Details | binding site for residue BTT U 905 |
| Chain | Residue |
| U | SER143 |
| U | HIS144 |
| U | ASP174 |
| U | SER175 |
| U | TRP176 |
| U | TYR404 |
| U | CYS557 |
| U | TYR560 |
| U | ILE561 |
| U | MGD902 |
| U | MGD903 |
| U | 4MO904 |
| U | HOH1030 |
| U | HOH1458 |
| site_id | AM6 |
| Number of Residues | 6 |
| Details | binding site for residue CA V 301 |
| Chain | Residue |
| U | ARG257 |
| U | HOH1042 |
| V | ILE61 |
| V | ASN62 |
| V | HOH968 |
| V | HOH1029 |
| site_id | AM7 |
| Number of Residues | 11 |
| Details | binding site for residue SF4 V 302 |
| Chain | Residue |
| V | CYS13 |
| V | GLN14 |
| V | ASP15 |
| V | CYS16 |
| V | ASN17 |
| V | ASN18 |
| V | CYS19 |
| V | PRO65 |
| V | CYS149 |
| V | SER151 |
| V | TYR154 |
| site_id | AM8 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 V 303 |
| Chain | Residue |
| V | CYS23 |
| V | HIS27 |
| V | MET46 |
| V | CYS126 |
| V | THR127 |
| V | MET128 |
| V | CYS129 |
| V | PRO143 |
| V | CYS145 |
| site_id | AM9 |
| Number of Residues | 8 |
| Details | binding site for residue SF4 V 304 |
| Chain | Residue |
| V | CYS68 |
| V | MET69 |
| V | HIS70 |
| V | CYS71 |
| V | PRO75 |
| V | CYS76 |
| V | CYS109 |
| V | VAL113 |
| site_id | AN1 |
| Number of Residues | 5 |
| Details | binding site for residue CA W 901 |
| Chain | Residue |
| W | TRP339 |
| W | ALA340 |
| W | LYS342 |
| W | GLN377 |
| W | HOH1447 |
| site_id | AN2 |
| Number of Residues | 35 |
| Details | binding site for residue MGD W 902 |
| Chain | Residue |
| W | SER142 |
| W | SER143 |
| W | HIS144 |
| W | HIS145 |
| W | MET146 |
| W | ASP174 |
| W | SER175 |
| W | ARG359 |
| W | TYR496 |
| W | GLY498 |
| W | PRO499 |
| W | THR503 |
| W | GLN525 |
| W | SER526 |
| W | ILE527 |
| W | ALA542 |
| W | ASP589 |
| W | SER736 |
| W | HIS738 |
| W | HIS744 |
| W | THR745 |
| W | MET746 |
| W | GLU818 |
| W | ASN840 |
| W | MET855 |
| W | ASN857 |
| W | ASN858 |
| W | MGD903 |
| W | 4MO904 |
| W | BTT905 |
| W | HOH1111 |
| W | HOH1152 |
| W | HOH1306 |
| W | HOH1380 |
| W | HOH1515 |
| site_id | AN3 |
| Number of Residues | 39 |
| Details | binding site for residue MGD W 903 |
| Chain | Residue |
| W | TYR62 |
| W | HIS144 |
| W | SER175 |
| W | TRP215 |
| W | SER216 |
| W | ASP218 |
| W | THR221 |
| W | ASN222 |
| W | GLY224 |
| W | ILE225 |
| W | ILE248 |
| W | ASP249 |
| W | PRO250 |
| W | HIS251 |
| W | ASN253 |
| W | ASP271 |
| W | GLY350 |
| W | TRP354 |
| W | GLY355 |
| W | GLY356 |
| W | ALA357 |
| W | ARG359 |
| W | HIS362 |
| W | LEU735 |
| W | PRO737 |
| W | HIS738 |
| W | PRO739 |
| W | ARG740 |
| W | SER742 |
| W | HIS744 |
| W | MGD902 |
| W | 4MO904 |
| W | BTT905 |
| W | HOH1004 |
| W | HOH1028 |
| W | HOH1047 |
| W | HOH1285 |
| W | HOH1328 |
| W | HOH1356 |
| site_id | AN4 |
| Number of Residues | 4 |
| Details | binding site for residue 4MO W 904 |
| Chain | Residue |
| W | SER175 |
| W | MGD902 |
| W | MGD903 |
| W | BTT905 |
| site_id | AN5 |
| Number of Residues | 13 |
| Details | binding site for residue BTT W 905 |
| Chain | Residue |
| W | SER143 |
| W | HIS144 |
| W | ASP174 |
| W | SER175 |
| W | TYR404 |
| W | CYS557 |
| W | TYR560 |
| W | ILE561 |
| W | MGD902 |
| W | MGD903 |
| W | 4MO904 |
| W | HOH1026 |
| W | HOH1455 |
| site_id | AN6 |
| Number of Residues | 6 |
| Details | binding site for residue CA X 301 |
| Chain | Residue |
| W | ARG257 |
| W | HOH1039 |
| X | ILE61 |
| X | ASN62 |
| X | HOH976 |
| X | HOH1041 |
| site_id | AN7 |
| Number of Residues | 12 |
| Details | binding site for residue SF4 X 302 |
| Chain | Residue |
| X | CYS13 |
| X | GLN14 |
| X | ASP15 |
| X | CYS16 |
| X | ASN17 |
| X | ASN18 |
| X | CYS19 |
| X | ILE48 |
| X | PRO65 |
| X | CYS149 |
| X | SER151 |
| X | TYR154 |
| site_id | AN8 |
| Number of Residues | 10 |
| Details | binding site for residue SF4 X 303 |
| Chain | Residue |
| X | CYS23 |
| X | HIS27 |
| X | MET46 |
| X | CYS126 |
| X | THR127 |
| X | MET128 |
| X | CYS129 |
| X | PRO143 |
| X | ARG144 |
| X | CYS145 |
| site_id | AN9 |
| Number of Residues | 9 |
| Details | binding site for residue SF4 X 304 |
| Chain | Residue |
| X | CYS68 |
| X | MET69 |
| X | HIS70 |
| X | CYS71 |
| X | PRO75 |
| X | CYS76 |
| X | CYS109 |
| X | TYR111 |
| X | VAL113 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 144 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| B | CYS13 | |
| B | CYS129 | |
| R | CYS23 | |
| R | CYS68 | |
| R | CYS71 | |
| R | CYS76 | |
| R | CYS109 | |
| R | CYS126 | |
| R | CYS129 | |
| R | CYS145 | |
| R | CYS149 | |
| T | CYS13 | |
| B | CYS145 | |
| T | CYS16 | |
| T | CYS19 | |
| T | CYS23 | |
| T | CYS68 | |
| T | CYS71 | |
| T | CYS76 | |
| T | CYS109 | |
| T | CYS126 | |
| T | CYS129 | |
| T | CYS145 | |
| B | CYS149 | |
| T | CYS149 | |
| V | CYS13 | |
| V | CYS16 | |
| V | CYS19 | |
| V | CYS23 | |
| V | CYS68 | |
| V | CYS71 | |
| V | CYS76 | |
| V | CYS109 | |
| V | CYS126 | |
| D | CYS13 | |
| V | CYS129 | |
| V | CYS145 | |
| V | CYS149 | |
| X | CYS13 | |
| X | CYS16 | |
| X | CYS19 | |
| X | CYS23 | |
| X | CYS68 | |
| X | CYS71 | |
| X | CYS76 | |
| D | CYS16 | |
| X | CYS109 | |
| X | CYS126 | |
| X | CYS129 | |
| X | CYS145 | |
| X | CYS149 | |
| D | CYS19 | |
| D | CYS23 | |
| D | CYS68 | |
| D | CYS71 | |
| D | CYS76 | |
| B | CYS16 | |
| D | CYS109 | |
| D | CYS126 | |
| D | CYS129 | |
| D | CYS145 | |
| D | CYS149 | |
| F | CYS13 | |
| F | CYS16 | |
| F | CYS19 | |
| F | CYS23 | |
| F | CYS68 | |
| B | CYS19 | |
| F | CYS71 | |
| F | CYS76 | |
| F | CYS109 | |
| F | CYS126 | |
| F | CYS129 | |
| F | CYS145 | |
| F | CYS149 | |
| H | CYS13 | |
| H | CYS16 | |
| H | CYS19 | |
| B | CYS23 | |
| H | CYS23 | |
| H | CYS68 | |
| H | CYS71 | |
| H | CYS76 | |
| H | CYS109 | |
| H | CYS126 | |
| H | CYS129 | |
| H | CYS145 | |
| H | CYS149 | |
| J | CYS13 | |
| B | CYS68 | |
| J | CYS16 | |
| J | CYS19 | |
| J | CYS23 | |
| J | CYS68 | |
| J | CYS71 | |
| J | CYS76 | |
| J | CYS109 | |
| J | CYS126 | |
| J | CYS129 | |
| J | CYS145 | |
| B | CYS71 | |
| J | CYS149 | |
| L | CYS13 | |
| L | CYS16 | |
| L | CYS19 | |
| L | CYS23 | |
| L | CYS68 | |
| L | CYS71 | |
| L | CYS76 | |
| L | CYS109 | |
| L | CYS126 | |
| B | CYS76 | |
| L | CYS129 | |
| L | CYS145 | |
| L | CYS149 | |
| N | CYS13 | |
| N | CYS16 | |
| N | CYS19 | |
| N | CYS23 | |
| N | CYS68 | |
| N | CYS71 | |
| N | CYS76 | |
| B | CYS109 | |
| N | CYS109 | |
| N | CYS126 | |
| N | CYS129 | |
| N | CYS145 | |
| N | CYS149 | |
| P | CYS13 | |
| P | CYS16 | |
| P | CYS19 | |
| P | CYS23 | |
| P | CYS68 | |
| B | CYS126 | |
| P | CYS71 | |
| P | CYS76 | |
| P | CYS109 | |
| P | CYS126 | |
| P | CYS129 | |
| P | CYS145 | |
| P | CYS149 | |
| R | CYS13 | |
| R | CYS16 | |
| R | CYS19 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| A | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA10 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| S | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| S | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| S | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA11 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| U | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| U | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| U | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA12 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| W | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| W | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| W | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| C | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| E | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| E | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| G | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| G | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| G | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| I | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| I | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| I | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA6 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| K | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| K | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| K | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| M | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| M | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| M | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA8 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| O | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| O | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| O | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA9 |
| Number of Residues | 3 |
| Details | M-CSA 146 |
| Chain | Residue | Details |
| Q | HIS145 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| Q | SER175 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| Q | ALA405 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
