Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0018822 | molecular_function | nitrile hydratase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0046914 | molecular_function | transition metal ion binding |
| B | 0016829 | molecular_function | lyase activity |
| B | 0018822 | molecular_function | nitrile hydratase activity |
| B | 0046914 | molecular_function | transition metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE A 301 |
| Chain | Residue |
| A | CYS109 |
| A | CSD112 |
| A | ALA113 |
| A | CSO114 |
| A | NO207 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NO A 207 |
| Chain | Residue |
| A | FE301 |
| B | TAN213 |
| A | CSD112 |
| A | ALA113 |
| A | CSO114 |
| A | HOH239 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 302 |
| Chain | Residue |
| B | HOH324 |
| B | HOH324 |
| B | HOH432 |
| B | HOH433 |
| B | HOH434 |
| B | HOH435 |
| B | HOH436 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 303 |
| Chain | Residue |
| B | HOH425 |
| B | HOH426 |
| B | HOH427 |
| B | HOH428 |
| B | HOH429 |
| B | HOH430 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 304 |
| Chain | Residue |
| B | HOH381 |
| B | HOH386 |
| B | HOH388 |
| B | HOH389 |
| B | HOH401 |
| B | HOH405 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE TAN B 213 |
| Chain | Residue |
| A | NO207 |
| B | TYR37 |
| B | MET40 |
| B | ARG56 |
| B | TYR72 |
| B | TYR76 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2AHJ","evidenceCode":"ECO:0007744"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Cysteine sulfinic acid (-SO2H)","evidences":[{"source":"PubMed","id":"9368004","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Cysteine sulfenic acid (-SOH)","evidences":[{"source":"PubMed","id":"9586994","evidenceCode":"ECO:0000269"}]} |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 57 |
| Chain | Residue | Details |
| B | ARG56 | electrostatic stabiliser, proton acceptor, proton donor |
| B | TYR72 | proton acceptor, proton donor |
| B | TYR76 | increase acidity, increase basicity |
| A | ILE119 | electrofuge, metal ligand, nucleophile, proton acceptor, proton donor |
