2ZPF
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min at 293K
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| 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 |
| A | 0080109 | molecular_function | indole-3-acetonitrile nitrile hydratase activity |
| B | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0018822 | molecular_function | nitrile hydratase activity |
| B | 0046914 | molecular_function | transition metal ion binding |
| B | 0080109 | molecular_function | indole-3-acetonitrile nitrile hydratase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE A 300 |
| Chain | Residue |
| A | CYS109 |
| A | CSD112 |
| A | SER113 |
| A | CSO114 |
| A | NO301 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NO A 301 |
| Chain | Residue |
| B | TB01302 |
| A | CSD112 |
| A | SER113 |
| A | CSO114 |
| A | FE300 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A1602 |
| Chain | Residue |
| A | HOH1604 |
| A | HOH1605 |
| A | HOH1606 |
| A | HOH1607 |
| A | HOH1608 |
| A | HOH1609 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A1603 |
| Chain | Residue |
| A | HOH1610 |
| A | HOH1611 |
| A | HOH1612 |
| A | HOH1613 |
| A | HOH1614 |
| A | HOH1615 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE TB0 B1302 |
| Chain | Residue |
| A | NO301 |
| B | MET40 |
| B | VAL55 |
| B | TYR72 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B1601 |
| Chain | Residue |
| B | HOH1606 |
| B | HOH1607 |
| B | HOH1608 |
| B | HOH1609 |
| B | HOH1610 |
| B | HOH1611 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B1604 |
| Chain | Residue |
| B | HOH1612 |
| B | HOH1613 |
| B | HOH1614 |
| B | HOH1615 |
| B | HOH1616 |
| B | HOH1617 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ |
| Chain | Residue | Details |
| A | CYS109 | |
| A | CSD112 | |
| A | SER113 | |
| A | CSO114 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:9368004, ECO:0000269|PubMed:9586994 |
| Chain | Residue | Details |
| A | CSD112 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:9586994 |
| Chain | Residue | Details |
| A | CSO114 |
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 | CSO114 | electrofuge, metal ligand, nucleophile, proton acceptor, proton donor |
