2DD5
Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme
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 | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 C 3001 |
| Chain | Residue |
| B | ARG90 |
| C | HOH3015 |
| B | ARG91 |
| B | TRP112 |
| C | SER108 |
| C | CSD131 |
| C | SER132 |
| C | CSO133 |
| C | ARG136 |
| C | HOH3002 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 F 3002 |
| Chain | Residue |
| E | ARG90 |
| E | ARG91 |
| E | TRP112 |
| F | SER108 |
| F | SER132 |
| F | CSO133 |
| F | ARG136 |
| F | HOH3006 |
| F | HOH3016 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 I 3003 |
| Chain | Residue |
| H | ARG90 |
| H | ARG91 |
| H | TRP112 |
| I | SER108 |
| I | SER132 |
| I | CSO133 |
| I | ARG136 |
| I | HOH3013 |
| I | HOH3043 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 L 3004 |
| Chain | Residue |
| K | ARG90 |
| K | ARG91 |
| K | TRP112 |
| L | SER108 |
| L | SER132 |
| L | CSO133 |
| L | ARG136 |
| L | HOH3016 |
| L | HOH3057 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 3005 |
| Chain | Residue |
| A | PRO49 |
| A | ASP50 |
| A | HOH3023 |
| A | HOH3041 |
| A | HOH3078 |
| A | HOH3098 |
| A | HOH3107 |
| B | ARG41 |
| B | HOH227 |
| K | ARG139 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 D 3006 |
| Chain | Residue |
| D | PRO49 |
| D | ASP50 |
| D | HOH488 |
| D | HOH745 |
| D | HOH854 |
| D | HOH1029 |
| D | HOH1127 |
| D | HOH1881 |
| E | ARG41 |
| E | HOH184 |
| H | ARG139 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 G 3007 |
| Chain | Residue |
| E | ARG139 |
| G | PRO49 |
| G | ASP50 |
| G | HOH3040 |
| G | HOH3053 |
| G | HOH3059 |
| G | HOH3068 |
| G | HOH3078 |
| H | ARG41 |
| H | HOH200 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 J 3008 |
| Chain | Residue |
| B | ARG139 |
| J | PRO49 |
| J | ASP50 |
| J | HOH3057 |
| J | HOH3071 |
| J | HOH3085 |
| K | ARG41 |
| K | HOH219 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 L 3009 |
| Chain | Residue |
| A | LYS17 |
| L | LEU73 |
| L | ARG193 |
| L | ASP198 |
| L | GLY199 |
| L | HOH3173 |
| L | HOH3283 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 L 3010 |
| Chain | Residue |
| K | GLU65 |
| K | HOH227 |
| L | HIS57 |
| L | GLN141 |
| L | HOH3143 |
| L | HOH3169 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 I 3011 |
| Chain | Residue |
| H | GLU65 |
| H | HOH255 |
| I | HIS57 |
| I | GLN141 |
| I | HOH3119 |
| I | HOH3144 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 I 3012 |
| Chain | Residue |
| L | PRO171 |
| I | PRO171 |
| I | HOH3107 |
| I | HOH3132 |
| I | HOH3146 |
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 | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| H | ARG91 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| K | ARG91 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| E | ARG91 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1ahj |
| Chain | Residue | Details |
| B | 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 |
