3VYG
Crystal structure of Thiocyanate hydrolase mutant R136W
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0018760 | molecular_function | thiocyanate hydrolase activity |
| A | 0046265 | biological_process | thiocyanate catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0018760 | molecular_function | thiocyanate hydrolase activity |
| B | 0046265 | biological_process | thiocyanate catabolic process |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0018760 | molecular_function | thiocyanate hydrolase activity |
| C | 0046265 | biological_process | thiocyanate catabolic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0046914 | molecular_function | transition metal ion binding |
| D | 0016787 | molecular_function | hydrolase activity |
| D | 0018760 | molecular_function | thiocyanate hydrolase activity |
| D | 0046265 | biological_process | thiocyanate catabolic process |
| E | 0016787 | molecular_function | hydrolase activity |
| E | 0018760 | molecular_function | thiocyanate hydrolase activity |
| E | 0046265 | biological_process | thiocyanate catabolic process |
| F | 0003824 | molecular_function | catalytic activity |
| F | 0016787 | molecular_function | hydrolase activity |
| F | 0018760 | molecular_function | thiocyanate hydrolase activity |
| F | 0046265 | biological_process | thiocyanate catabolic process |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0046914 | molecular_function | transition metal ion binding |
| G | 0016787 | molecular_function | hydrolase activity |
| G | 0018760 | molecular_function | thiocyanate hydrolase activity |
| G | 0046265 | biological_process | thiocyanate catabolic process |
| H | 0016787 | molecular_function | hydrolase activity |
| H | 0018760 | molecular_function | thiocyanate hydrolase activity |
| H | 0046265 | biological_process | thiocyanate catabolic process |
| I | 0003824 | molecular_function | catalytic activity |
| I | 0016787 | molecular_function | hydrolase activity |
| I | 0018760 | molecular_function | thiocyanate hydrolase activity |
| I | 0046265 | biological_process | thiocyanate catabolic process |
| I | 0046872 | molecular_function | metal ion binding |
| I | 0046914 | molecular_function | transition metal ion binding |
| J | 0016787 | molecular_function | hydrolase activity |
| J | 0018760 | molecular_function | thiocyanate hydrolase activity |
| J | 0046265 | biological_process | thiocyanate catabolic process |
| K | 0016787 | molecular_function | hydrolase activity |
| K | 0018760 | molecular_function | thiocyanate hydrolase activity |
| K | 0046265 | biological_process | thiocyanate catabolic process |
| L | 0003824 | molecular_function | catalytic activity |
| L | 0016787 | molecular_function | hydrolase activity |
| L | 0018760 | molecular_function | thiocyanate hydrolase activity |
| L | 0046265 | biological_process | thiocyanate catabolic process |
| L | 0046872 | molecular_function | metal ion binding |
| L | 0046914 | molecular_function | transition metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3CO C 301 |
| Chain | Residue |
| C | CYS128 |
| C | CSD131 |
| C | SER132 |
| C | CSO133 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TLA C 302 |
| Chain | Residue |
| C | HOH569 |
| C | HOH594 |
| C | HOH609 |
| A | VAL68 |
| C | ARG177 |
| C | HOH514 |
| C | HOH541 |
| C | HOH566 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3CO F 301 |
| Chain | Residue |
| F | CYS128 |
| F | CSD131 |
| F | SER132 |
| F | CSO133 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TLA F 302 |
| Chain | Residue |
| D | VAL68 |
| F | ARG177 |
| F | HOH506 |
| F | HOH513 |
| F | HOH532 |
| F | HOH545 |
| F | HOH551 |
| F | HOH568 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3CO I 301 |
| Chain | Residue |
| I | CYS128 |
| I | CSD131 |
| I | SER132 |
| I | CSO133 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TLA I 302 |
| Chain | Residue |
| G | VAL68 |
| I | ARG177 |
| I | HOH437 |
| I | HOH451 |
| I | HOH452 |
| I | HOH469 |
| I | HOH480 |
| I | HOH498 |
| I | HOH548 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3CO L 301 |
| Chain | Residue |
| L | CYS128 |
| L | CSD131 |
| L | SER132 |
| L | CSO133 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE TLA L 302 |
| Chain | Residue |
| J | VAL68 |
| L | ARG177 |
| L | HOH450 |
| L | HOH454 |
| L | HOH464 |
| L | HOH474 |
| L | HOH483 |
| L | HOH485 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PDB","id":"2DD5","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Cysteine sulfinic acid (-SO2H)","evidences":[{"source":"PubMed","id":"16417356","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16879822","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17222425","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Cysteine sulfenic acid (-SOH)","evidences":[{"source":"PubMed","id":"16879822","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17222425","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| C | CYS128 | activator, electrostatic stabiliser, metal ligand |
| C | SER132 | electrostatic stabiliser, metal ligand |
| C | CSO133 | electrostatic stabiliser, metal ligand |
| C | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| F | CYS128 | activator, electrostatic stabiliser, metal ligand |
| F | SER132 | electrostatic stabiliser, metal ligand |
| F | CSO133 | electrostatic stabiliser, metal ligand |
| F | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA3 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| I | CYS128 | activator, electrostatic stabiliser, metal ligand |
| I | SER132 | electrostatic stabiliser, metal ligand |
| I | CSO133 | electrostatic stabiliser, metal ligand |
| I | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA4 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| L | CYS128 | activator, electrostatic stabiliser, metal ligand |
| L | SER132 | electrostatic stabiliser, metal ligand |
| L | CSO133 | electrostatic stabiliser, metal ligand |
| L | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
