2DXB
Recombinant thiocyanate hydrolase comprising partially-modified cobalt centers
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 |
| M | 0016787 | molecular_function | hydrolase activity |
| M | 0018760 | molecular_function | thiocyanate hydrolase activity |
| M | 0046265 | biological_process | thiocyanate catabolic process |
| N | 0016787 | molecular_function | hydrolase activity |
| N | 0018760 | molecular_function | thiocyanate hydrolase activity |
| N | 0046265 | biological_process | thiocyanate catabolic process |
| O | 0003824 | molecular_function | catalytic activity |
| O | 0016787 | molecular_function | hydrolase activity |
| O | 0018760 | molecular_function | thiocyanate hydrolase activity |
| O | 0046265 | biological_process | thiocyanate catabolic process |
| O | 0046872 | molecular_function | metal ion binding |
| O | 0046914 | molecular_function | transition metal ion binding |
| P | 0016787 | molecular_function | hydrolase activity |
| P | 0018760 | molecular_function | thiocyanate hydrolase activity |
| P | 0046265 | biological_process | thiocyanate catabolic process |
| Q | 0016787 | molecular_function | hydrolase activity |
| Q | 0018760 | molecular_function | thiocyanate hydrolase activity |
| Q | 0046265 | biological_process | thiocyanate catabolic process |
| R | 0003824 | molecular_function | catalytic activity |
| R | 0016787 | molecular_function | hydrolase activity |
| R | 0018760 | molecular_function | thiocyanate hydrolase activity |
| R | 0046265 | biological_process | thiocyanate catabolic process |
| R | 0046872 | molecular_function | metal ion binding |
| R | 0046914 | molecular_function | transition metal ion binding |
| S | 0016787 | molecular_function | hydrolase activity |
| S | 0018760 | molecular_function | thiocyanate hydrolase activity |
| S | 0046265 | biological_process | thiocyanate catabolic process |
| T | 0016787 | molecular_function | hydrolase activity |
| T | 0018760 | molecular_function | thiocyanate hydrolase activity |
| T | 0046265 | biological_process | thiocyanate catabolic process |
| U | 0003824 | molecular_function | catalytic activity |
| U | 0016787 | molecular_function | hydrolase activity |
| U | 0018760 | molecular_function | thiocyanate hydrolase activity |
| U | 0046265 | biological_process | thiocyanate catabolic process |
| U | 0046872 | molecular_function | metal ion binding |
| U | 0046914 | molecular_function | transition metal ion binding |
| V | 0016787 | molecular_function | hydrolase activity |
| V | 0018760 | molecular_function | thiocyanate hydrolase activity |
| V | 0046265 | biological_process | thiocyanate catabolic process |
| W | 0016787 | molecular_function | hydrolase activity |
| W | 0018760 | molecular_function | thiocyanate hydrolase activity |
| W | 0046265 | biological_process | thiocyanate catabolic process |
| X | 0003824 | molecular_function | catalytic activity |
| X | 0016787 | molecular_function | hydrolase activity |
| X | 0018760 | molecular_function | thiocyanate hydrolase activity |
| X | 0046265 | biological_process | thiocyanate catabolic process |
| X | 0046872 | molecular_function | metal ion binding |
| X | 0046914 | molecular_function | transition metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO C 301 |
| Chain | Residue |
| C | CYS128 |
| C | CSD131 |
| C | SER132 |
| C | CSO133 |
| C | PO44001 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 C 4001 |
| Chain | Residue |
| C | CSD131 |
| C | SER132 |
| C | CSO133 |
| C | ARG136 |
| C | 3CO301 |
| C | HOH4009 |
| C | HOH4098 |
| B | ARG90 |
| B | ARG91 |
| B | TRP112 |
| C | SER108 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO F 301 |
| Chain | Residue |
| F | CYS128 |
| F | CSD131 |
| F | SER132 |
| F | CSO133 |
| F | PO44002 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 F 4002 |
| Chain | Residue |
| E | ARG90 |
| E | ARG91 |
| E | TRP112 |
| F | SER108 |
| F | CSD131 |
| F | SER132 |
| F | CSO133 |
| F | ARG136 |
| F | 3CO301 |
| F | HOH4014 |
| F | HOH4051 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO I 301 |
| Chain | Residue |
| I | CYS128 |
| I | CSD131 |
| I | SER132 |
| I | CSO133 |
| I | PO44003 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 I 4003 |
| Chain | Residue |
| H | ARG90 |
| H | ARG91 |
| H | TRP112 |
| I | SER108 |
| I | CSD131 |
| I | SER132 |
| I | CSO133 |
| I | ARG136 |
| I | 3CO301 |
| I | HOH4015 |
| I | HOH4106 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO L 301 |
| Chain | Residue |
| L | CYS128 |
| L | CSD131 |
| L | SER132 |
| L | CSO133 |
| L | PO44004 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 L 4004 |
| Chain | Residue |
| K | ARG90 |
| K | ARG91 |
| K | TRP112 |
| L | SER108 |
| L | CSD131 |
| L | SER132 |
| L | CSO133 |
| L | ARG136 |
| L | 3CO301 |
| L | HOH4187 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3CO O 301 |
| Chain | Residue |
| O | CYS128 |
| O | CSD131 |
| O | SER132 |
| O | CSO133 |
| site_id | BC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 O 4005 |
| Chain | Residue |
| N | ARG90 |
| N | ARG91 |
| N | TRP112 |
| O | SER108 |
| O | CSD131 |
| O | SER132 |
| O | CSO133 |
| O | ARG136 |
| O | HOH4010 |
| O | HOH4032 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO R 301 |
| Chain | Residue |
| R | CYS128 |
| R | CSD131 |
| R | SER132 |
| R | CSO133 |
| R | PO44006 |
| site_id | BC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 R 4006 |
| Chain | Residue |
| Q | ARG90 |
| Q | ARG91 |
| Q | TRP112 |
| R | SER108 |
| R | CSD131 |
| R | SER132 |
| R | CSO133 |
| R | ARG136 |
| R | 3CO301 |
| R | HOH4013 |
| R | HOH4076 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO U 301 |
| Chain | Residue |
| U | CYS128 |
| U | CSD131 |
| U | SER132 |
| U | CSO133 |
| U | PO44007 |
| site_id | BC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 U 4007 |
| Chain | Residue |
| T | ARG91 |
| T | TRP112 |
| U | SER108 |
| U | CSD131 |
| U | SER132 |
| U | CSO133 |
| U | ARG136 |
| U | 3CO301 |
| U | HOH4015 |
| U | HOH4064 |
| T | ARG90 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3CO X 301 |
| Chain | Residue |
| X | CYS128 |
| X | CSD131 |
| X | SER132 |
| X | CSO133 |
| X | PO44008 |
| site_id | BC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 X 4008 |
| Chain | Residue |
| W | ARG90 |
| W | ARG91 |
| W | TRP112 |
| X | SER108 |
| X | CSD131 |
| X | SER132 |
| X | CSO133 |
| X | ARG136 |
| X | 3CO301 |
| X | HOH4018 |
| X | HOH4112 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 32 |
| Details | Binding site: {"evidences":[{"source":"PDB","id":"2DD5","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| 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 | 8 |
| 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 | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| W | ARG91 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| T | ARG91 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| N | ARG91 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| K | ARG91 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| E | ARG91 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| B | ARG91 |
| site_id | CSA7 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| H | ARG91 |
| site_id | CSA8 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| Q | ARG91 |
| 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 |
| site_id | MCSA5 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| O | CYS128 | activator, electrostatic stabiliser, metal ligand |
| O | SER132 | electrostatic stabiliser, metal ligand |
| O | CSO133 | electrostatic stabiliser, metal ligand |
| O | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA6 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| R | CYS128 | activator, electrostatic stabiliser, metal ligand |
| R | SER132 | electrostatic stabiliser, metal ligand |
| R | CSO133 | electrostatic stabiliser, metal ligand |
| R | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA7 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| U | CYS128 | activator, electrostatic stabiliser, metal ligand |
| U | SER132 | electrostatic stabiliser, metal ligand |
| U | CSO133 | electrostatic stabiliser, metal ligand |
| U | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
| site_id | MCSA8 |
| Number of Residues | 4 |
| Details | M-CSA 284 |
| Chain | Residue | Details |
| X | CYS128 | activator, electrostatic stabiliser, metal ligand |
| X | SER132 | electrostatic stabiliser, metal ligand |
| X | CSO133 | electrostatic stabiliser, metal ligand |
| X | ILE138 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |
