1DWK
STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ENZYME ACTIVE SITE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0008824 | molecular_function | cyanate hydratase activity |
| A | 0009439 | biological_process | cyanate metabolic process |
| A | 0009440 | biological_process | cyanate catabolic process |
| A | 0016829 | molecular_function | lyase activity |
| B | 0003677 | molecular_function | DNA binding |
| B | 0008824 | molecular_function | cyanate hydratase activity |
| B | 0009439 | biological_process | cyanate metabolic process |
| B | 0009440 | biological_process | cyanate catabolic process |
| B | 0016829 | molecular_function | lyase activity |
| C | 0003677 | molecular_function | DNA binding |
| C | 0008824 | molecular_function | cyanate hydratase activity |
| C | 0009439 | biological_process | cyanate metabolic process |
| C | 0009440 | biological_process | cyanate catabolic process |
| C | 0016829 | molecular_function | lyase activity |
| D | 0003677 | molecular_function | DNA binding |
| D | 0008824 | molecular_function | cyanate hydratase activity |
| D | 0009439 | biological_process | cyanate metabolic process |
| D | 0009440 | biological_process | cyanate catabolic process |
| D | 0016829 | molecular_function | lyase activity |
| E | 0003677 | molecular_function | DNA binding |
| E | 0008824 | molecular_function | cyanate hydratase activity |
| E | 0009439 | biological_process | cyanate metabolic process |
| E | 0009440 | biological_process | cyanate catabolic process |
| E | 0016829 | molecular_function | lyase activity |
| F | 0003677 | molecular_function | DNA binding |
| F | 0008824 | molecular_function | cyanate hydratase activity |
| F | 0009439 | biological_process | cyanate metabolic process |
| F | 0009440 | biological_process | cyanate catabolic process |
| F | 0016829 | molecular_function | lyase activity |
| G | 0003677 | molecular_function | DNA binding |
| G | 0008824 | molecular_function | cyanate hydratase activity |
| G | 0009439 | biological_process | cyanate metabolic process |
| G | 0009440 | biological_process | cyanate catabolic process |
| G | 0016829 | molecular_function | lyase activity |
| H | 0003677 | molecular_function | DNA binding |
| H | 0008824 | molecular_function | cyanate hydratase activity |
| H | 0009439 | biological_process | cyanate metabolic process |
| H | 0009440 | biological_process | cyanate catabolic process |
| H | 0016829 | molecular_function | lyase activity |
| I | 0003677 | molecular_function | DNA binding |
| I | 0008824 | molecular_function | cyanate hydratase activity |
| I | 0009439 | biological_process | cyanate metabolic process |
| I | 0009440 | biological_process | cyanate catabolic process |
| I | 0016829 | molecular_function | lyase activity |
| J | 0003677 | molecular_function | DNA binding |
| J | 0008824 | molecular_function | cyanate hydratase activity |
| J | 0009439 | biological_process | cyanate metabolic process |
| J | 0009440 | biological_process | cyanate catabolic process |
| J | 0016829 | molecular_function | lyase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1157 |
| Chain | Residue |
| A | ALA39 |
| A | GLU40 |
| A | HOH366 |
| A | HOH448 |
| A | HOH463 |
| A | HOH408 |
| A | HOH320 |
| A | HOH335 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1157 |
| Chain | Residue |
| B | GLU40 |
| B | HOH318 |
| B | HOH465 |
| B | HOH371 |
| B | HOH314 |
| B | ALA39 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1157 |
| Chain | Residue |
| C | ALA39 |
| C | GLU40 |
| C | HOH341 |
| C | HOH410 |
| C | HOH337 |
| C | HOH307 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1157 |
| Chain | Residue |
| D | ALA39 |
| D | GLU40 |
| D | HOH411 |
| D | HOH462 |
| D | HOH306 |
| D | HOH311 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1157 |
| Chain | Residue |
| E | ALA39 |
| E | GLU40 |
| E | HOH424 |
| E | HOH369 |
| E | HOH335 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 F 1157 |
| Chain | Residue |
| F | ALA39 |
| F | GLU40 |
| F | HOH451 |
| F | HOH414 |
| F | HOH302 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 G 1157 |
| Chain | Residue |
| G | ALA39 |
| G | GLU40 |
| G | HOH318 |
| G | HOH409 |
| G | HOH322 |
| G | HOH304 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 H 1157 |
| Chain | Residue |
| H | ALA39 |
| H | GLU40 |
| H | HOH403 |
| H | HOH323 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 I 1157 |
| Chain | Residue |
| I | ALA39 |
| I | GLU40 |
| I | HOH418 |
| I | HOH305 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 J 1157 |
| Chain | Residue |
| J | ALA39 |
| J | GLU40 |
| J | HOH407 |
| J | HOH307 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1158 |
| Chain | Residue |
| A | ARG87 |
| A | SO4202 |
| B | ARG87 |
| D | ARG87 |
| D | SO4203 |
| J | ARG87 |
| B | HOH312 |
| B | HOH397 |
| site_id | BC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1159 |
| Chain | Residue |
| A | ARG87 |
| B | SO4201 |
| C | ARG87 |
| G | SO4201 |
| I | ARG87 |
| J | ARG87 |
| A | HOH309 |
| A | HOH310 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1158 |
| Chain | Residue |
| A | SO4202 |
| C | ARG87 |
| F | SO4201 |
| G | ARG87 |
| H | ARG87 |
| I | ARG87 |
| G | HOH353 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1158 |
| Chain | Residue |
| G | SO4201 |
| E | ARG87 |
| D | SO4203 |
| F | ARG87 |
| G | ARG87 |
| H | ARG87 |
| F | HOH372 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1159 |
| Chain | Residue |
| B | SO4201 |
| B | ARG87 |
| D | ARG87 |
| E | ARG87 |
| F | SO4201 |
| F | ARG87 |
| D | HOH382 |
| site_id | BC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1160 |
| Chain | Residue |
| A | HOH378 |
| A | HOH388 |
| A | ASP34 |
| A | GLY35 |
| A | THR36 |
| A | GLY37 |
| E | LYS131 |
| A | HOH306 |
| A | HOH301 |
| A | HOH312 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1158 |
| Chain | Residue |
| D | ASP34 |
| D | GLY35 |
| D | THR36 |
| D | GLY37 |
| D | HOH303 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1160 |
| Chain | Residue |
| E | ASP34 |
| E | GLY35 |
| E | GLY37 |
| E | HOH327 |
| E | HOH307 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 F 1158 |
| Chain | Residue |
| F | ALA33 |
| F | ASP34 |
| F | GLY35 |
| F | THR36 |
| F | GLY37 |
| F | HOH316 |
| F | HOH301 |
| site_id | CC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 G 1158 |
| Chain | Residue |
| D | LYS131 |
| D | HOH406 |
| D | HOH347 |
| G | ALA33 |
| G | ASP34 |
| G | GLY35 |
| G | THR36 |
| G | GLY37 |
| G | HOH309 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 H 1158 |
| Chain | Residue |
| H | ALA33 |
| H | ASP34 |
| H | GLY35 |
| H | GLY37 |
| H | HOH353 |
| H | HOH304 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 I 1158 |
| Chain | Residue |
| I | ALA33 |
| I | ASP34 |
| I | GLY35 |
| I | THR36 |
| I | GLY37 |
| I | HOH351 |
| I | HOH357 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 J 1158 |
| Chain | Residue |
| J | ALA33 |
| J | ASP34 |
| J | GLY35 |
| J | THR36 |
| J | GLY37 |
| J | HOH328 |
| J | HOH405 |
| site_id | CC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE OXL A 1161 |
| Chain | Residue |
| A | ILE120 |
| A | SER122 |
| A | ALA123 |
| A | LEU151 |
| D | ARG96 |
| I | ARG96 |
| J | ILE120 |
| J | SER122 |
| J | ALA123 |
| J | LEU151 |
| J | HOH363 |
| site_id | CC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE OXL D 1159 |
| Chain | Residue |
| A | ARG96 |
| B | ILE120 |
| B | SER122 |
| B | ALA123 |
| B | LEU151 |
| D | ILE120 |
| D | SER122 |
| D | ALA123 |
| D | LEU151 |
| F | ARG96 |
| site_id | CC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE OXL I 1159 |
| Chain | Residue |
| C | ILE120 |
| C | SER122 |
| C | ALA123 |
| C | LEU151 |
| H | ARG96 |
| I | ILE120 |
| I | SER122 |
| I | ALA123 |
| I | LEU151 |
| J | ARG96 |
| site_id | CC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE OXL E 1161 |
| Chain | Residue |
| B | ARG96 |
| E | ILE120 |
| E | SER122 |
| E | ALA123 |
| E | LEU151 |
| F | ILE120 |
| F | SER122 |
| F | ALA123 |
| F | LEU151 |
| G | ARG96 |
| site_id | DC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE OXL G 1159 |
| Chain | Residue |
| C | ARG96 |
| E | ARG96 |
| G | ILE120 |
| G | SER122 |
| G | ALA123 |
| G | LEU151 |
| H | ILE120 |
| H | SER122 |
| H | ALA123 |
| H | LEU151 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 30 |
| Details | ACT_SITE: |
| Chain | Residue | Details |
| A | ARG96 | |
| D | ARG96 | |
| D | GLU99 | |
| D | SER122 | |
| E | ARG96 | |
| E | GLU99 | |
| E | SER122 | |
| F | ARG96 | |
| F | GLU99 | |
| F | SER122 | |
| G | ARG96 | |
| A | GLU99 | |
| G | GLU99 | |
| G | SER122 | |
| H | ARG96 | |
| H | GLU99 | |
| H | SER122 | |
| I | ARG96 | |
| I | GLU99 | |
| I | SER122 | |
| J | ARG96 | |
| J | GLU99 | |
| A | SER122 | |
| J | SER122 | |
| B | ARG96 | |
| B | GLU99 | |
| B | SER122 | |
| C | ARG96 | |
| C | GLU99 | |
| C | SER122 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| A | ARG96 | electrostatic stabiliser |
| A | GLU99 | enhance reactivity |
| A | SER122 | electrostatic stabiliser |
| site_id | MCSA10 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| J | ARG96 | electrostatic stabiliser |
| J | GLU99 | enhance reactivity |
| J | SER122 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| B | ARG96 | electrostatic stabiliser |
| B | GLU99 | enhance reactivity |
| B | SER122 | electrostatic stabiliser |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| C | ARG96 | electrostatic stabiliser |
| C | GLU99 | enhance reactivity |
| C | SER122 | electrostatic stabiliser |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| D | ARG96 | electrostatic stabiliser |
| D | GLU99 | enhance reactivity |
| D | SER122 | electrostatic stabiliser |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| E | ARG96 | electrostatic stabiliser |
| E | GLU99 | enhance reactivity |
| E | SER122 | electrostatic stabiliser |
| site_id | MCSA6 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| F | ARG96 | electrostatic stabiliser |
| F | GLU99 | enhance reactivity |
| F | SER122 | electrostatic stabiliser |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| G | ARG96 | electrostatic stabiliser |
| G | GLU99 | enhance reactivity |
| G | SER122 | electrostatic stabiliser |
| site_id | MCSA8 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| H | ARG96 | electrostatic stabiliser |
| H | GLU99 | enhance reactivity |
| H | SER122 | electrostatic stabiliser |
| site_id | MCSA9 |
| Number of Residues | 3 |
| Details | M-CSA 845 |
| Chain | Residue | Details |
| I | ARG96 | electrostatic stabiliser |
| I | GLU99 | enhance reactivity |
| I | SER122 | electrostatic stabiliser |
