4UPE
Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0009061 | biological_process | anaerobic respiration |
| A | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042597 | cellular_component | periplasmic space |
| A | 0044569 | cellular_component | [Ni-Fe] hydrogenase complex |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
| A | 0051536 | molecular_function | iron-sulfur cluster binding |
| A | 0051538 | molecular_function | 3 iron, 4 sulfur cluster binding |
| A | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| B | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0009061 | biological_process | anaerobic respiration |
| B | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042597 | cellular_component | periplasmic space |
| B | 0044569 | cellular_component | [Ni-Fe] hydrogenase complex |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
| B | 0051536 | molecular_function | iron-sulfur cluster binding |
| B | 0051538 | molecular_function | 3 iron, 4 sulfur cluster binding |
| B | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| C | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0009061 | biological_process | anaerobic respiration |
| C | 0009375 | cellular_component | ferredoxin hydrogenase complex |
| C | 0016020 | cellular_component | membrane |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0042597 | cellular_component | periplasmic space |
| C | 0044569 | cellular_component | [Ni-Fe] hydrogenase complex |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
| C | 0051536 | molecular_function | iron-sulfur cluster binding |
| C | 0051538 | molecular_function | 3 iron, 4 sulfur cluster binding |
| C | 0051539 | molecular_function | 4 iron, 4 sulfur cluster binding |
| Q | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| Q | 0016151 | molecular_function | nickel cation binding |
| Q | 0016491 | molecular_function | oxidoreductase activity |
| Q | 0042597 | cellular_component | periplasmic space |
| Q | 0046872 | molecular_function | metal ion binding |
| Q | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
| R | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| R | 0016151 | molecular_function | nickel cation binding |
| R | 0016491 | molecular_function | oxidoreductase activity |
| R | 0042597 | cellular_component | periplasmic space |
| R | 0046872 | molecular_function | metal ion binding |
| R | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
| S | 0008901 | molecular_function | ferredoxin hydrogenase activity |
| S | 0016151 | molecular_function | nickel cation binding |
| S | 0016491 | molecular_function | oxidoreductase activity |
| S | 0042597 | cellular_component | periplasmic space |
| S | 0046872 | molecular_function | metal ion binding |
| S | 0047806 | molecular_function | cytochrome-c3 hydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 A 1265 |
| Chain | Residue |
| A | HIS184 |
| A | CYS187 |
| A | ARG189 |
| A | LEU190 |
| A | CYS212 |
| A | LEU213 |
| A | CYS218 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE F3S A 1266 |
| Chain | Residue |
| A | CYS227 |
| A | PHE232 |
| A | TRP237 |
| A | CYS245 |
| A | LEU246 |
| A | CYS248 |
| Q | GLN230 |
| A | THR223 |
| A | ASN225 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 A 1267 |
| Chain | Residue |
| A | CYS17 |
| A | CYS20 |
| A | THR113 |
| A | CYS114 |
| A | GLY146 |
| A | CYS147 |
| A | PRO148 |
| Q | ARG70 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 B 1265 |
| Chain | Residue |
| B | HIS184 |
| B | CYS187 |
| B | ARG189 |
| B | LEU190 |
| B | CYS212 |
| B | LEU213 |
| B | CYS218 |
| B | PRO221 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE F3S B 1266 |
| Chain | Residue |
| B | ASN225 |
| B | CYS227 |
| B | PHE232 |
| B | TRP237 |
| B | CYS245 |
| B | LEU246 |
| B | CYS248 |
| R | LYS225 |
| R | GLN230 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SF4 B 1267 |
| Chain | Residue |
| B | CYS17 |
| B | CYS20 |
| B | THR113 |
| B | CYS114 |
| B | GLY146 |
| B | CYS147 |
| B | PRO148 |
| R | ARG70 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SF4 C 1265 |
| Chain | Residue |
| C | HIS184 |
| C | CYS187 |
| C | ARG189 |
| C | LEU190 |
| C | CYS212 |
| C | LEU213 |
| C | CYS218 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE F3S C 1266 |
| Chain | Residue |
| C | ASN225 |
| C | CYS227 |
| C | PHE232 |
| C | TRP237 |
| C | CYS245 |
| C | LEU246 |
| C | CYS248 |
| S | LYS225 |
| S | GLN230 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SF4 C 1267 |
| Chain | Residue |
| C | CYS17 |
| C | CYS20 |
| C | THR113 |
| C | CYS114 |
| C | GLY146 |
| C | CYS147 |
| C | PRO148 |
| S | ARG70 |
| S | HIS228 |
| site_id | BC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FCO Q 1550 |
| Chain | Residue |
| Q | CSX75 |
| Q | VAL78 |
| Q | HIS79 |
| Q | ALA474 |
| Q | PRO475 |
| Q | ARG476 |
| Q | LEU479 |
| Q | VAL497 |
| Q | PRO498 |
| Q | CYS499 |
| Q | CYS546 |
| Q | NI1551 |
| Q | HOH2001 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI Q 1551 |
| Chain | Residue |
| Q | CYS72 |
| Q | CSX75 |
| Q | CYS543 |
| Q | CYS546 |
| Q | FCO1550 |
| Q | HOH2001 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA Q 1552 |
| Chain | Residue |
| Q | GLU53 |
| Q | LEU495 |
| Q | HIS549 |
| Q | HOH2002 |
| Q | HOH2003 |
| Q | HOH2004 |
| site_id | BC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL Q 1561 |
| Chain | Residue |
| Q | ARG100 |
| Q | ASN104 |
| Q | PHE295 |
| Q | ALA296 |
| Q | GLU445 |
| Q | HOH2050 |
| Q | HOH2091 |
| Q | HOH2157 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL Q 1562 |
| Chain | Residue |
| A | ALA55 |
| C | PHE198 |
| C | HOH2155 |
| Q | ASN181 |
| Q | ALA182 |
| Q | TYR183 |
| Q | LEU185 |
| Q | ARG529 |
| Q | HOH2391 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 Q 1564 |
| Chain | Residue |
| Q | GLU465 |
| Q | SER466 |
| Q | LYS467 |
| Q | ARG484 |
| Q | HOH2427 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FCO R 1550 |
| Chain | Residue |
| R | CSX75 |
| R | VAL78 |
| R | HIS79 |
| R | ALA474 |
| R | PRO475 |
| R | ARG476 |
| R | LEU479 |
| R | VAL497 |
| R | PRO498 |
| R | CYS499 |
| R | CYS546 |
| R | NI1551 |
| R | HOH2001 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI R 1551 |
| Chain | Residue |
| R | CYS72 |
| R | CSX75 |
| R | CYS543 |
| R | CYS546 |
| R | FCO1550 |
| R | HOH2001 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA R 1552 |
| Chain | Residue |
| R | GLU53 |
| R | LEU495 |
| R | HIS549 |
| R | HOH2002 |
| R | HOH2003 |
| R | HOH2004 |
| site_id | CC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL R 1561 |
| Chain | Residue |
| R | ARG100 |
| R | ASN104 |
| R | PHE295 |
| R | ALA296 |
| R | THR297 |
| R | GLU445 |
| R | HOH2054 |
| R | HOH2094 |
| R | HOH2161 |
| site_id | CC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL R 1562 |
| Chain | Residue |
| B | ALA55 |
| R | ASN181 |
| R | ALA182 |
| R | TYR183 |
| R | LEU185 |
| R | ARG529 |
| R | HOH2343 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 R 1563 |
| Chain | Residue |
| C | ALA103 |
| C | LYS104 |
| R | SER466 |
| R | LYS467 |
| R | ARG484 |
| R | HOH2367 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CA R 1564 |
| Chain | Residue |
| R | ASN181 |
| R | HOH2113 |
| R | HOH2212 |
| R | HOH2343 |
| site_id | CC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE FCO S 1550 |
| Chain | Residue |
| S | CSX75 |
| S | VAL78 |
| S | HIS79 |
| S | ALA474 |
| S | PRO475 |
| S | ARG476 |
| S | LEU479 |
| S | VAL497 |
| S | PRO498 |
| S | CYS499 |
| S | CYS546 |
| S | NI1551 |
| S | HOH2001 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI S 1551 |
| Chain | Residue |
| S | CYS72 |
| S | CSX75 |
| S | CYS543 |
| S | CYS546 |
| S | FCO1550 |
| S | HOH2001 |
| site_id | CC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA S 1552 |
| Chain | Residue |
| S | GLU53 |
| S | LEU495 |
| S | HIS549 |
| S | HOH2002 |
| S | HOH2003 |
| S | HOH2004 |
| site_id | CC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL S 1561 |
| Chain | Residue |
| S | ARG100 |
| S | ASN104 |
| S | PHE295 |
| S | ALA296 |
| S | THR297 |
| S | GLU445 |
| S | HOH2050 |
| S | HOH2087 |
| S | HOH2154 |
| site_id | CC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE MES S 1562 |
| Chain | Residue |
| R | SER156 |
| S | GLY450 |
| S | ALA451 |
| S | LYS452 |
| S | ASP453 |
| S | ASN454 |
| S | HOH2335 |
| S | HOH2376 |
| S | HOH2389 |
Functional Information from PROSITE/UniProt
| site_id | PS00507 |
| Number of Residues | 26 |
| Details | NI_HGENASE_L_1 Nickel-dependent hydrogenases large subunit signature 1. RGLEiilkgrdprdaqhftQRaCGVC |
| Chain | Residue | Details |
| Q | ARG50-CSX75 |
| site_id | PS00508 |
| Number of Residues | 10 |
| Details | NI_HGENASE_L_2 Nickel-dependent hydrogenases large subunit signature 2. FDPCIACgv.H |
| Chain | Residue | Details |
| Q | PHE540-HIS549 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 33 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
