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 | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
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 | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
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 | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
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 | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
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: BINDING => ECO:0007744|PDB:2DD5 |
Chain | Residue | Details |
C | THR129 | |
I | SER132 | |
I | CSO133 | |
I | TYR134 | |
L | THR129 | |
L | SER132 | |
L | CSO133 | |
L | TYR134 | |
C | SER132 | |
C | CSO133 | |
C | TYR134 | |
F | THR129 | |
F | SER132 | |
F | CSO133 | |
F | TYR134 | |
I | THR129 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | MOD_RES: Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:16417356, ECO:0000269|PubMed:16879822, ECO:0000269|PubMed:17222425 |
Chain | Residue | Details |
C | SER132 | |
F | SER132 | |
I | SER132 | |
L | SER132 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | MOD_RES: Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:16879822, ECO:0000269|PubMed:17222425 |
Chain | Residue | Details |
C | TYR134 | |
F | TYR134 | |
I | TYR134 | |
L | TYR134 |
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 | THR129 | activator, electrostatic stabiliser, metal ligand |
C | SER132 | electrostatic stabiliser, metal ligand |
C | CSO133 | electrostatic stabiliser, metal ligand |
C | TYR134 | 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 | THR129 | activator, electrostatic stabiliser, metal ligand |
F | SER132 | electrostatic stabiliser, metal ligand |
F | CSO133 | electrostatic stabiliser, metal ligand |
F | TYR134 | 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 | THR129 | activator, electrostatic stabiliser, metal ligand |
I | SER132 | electrostatic stabiliser, metal ligand |
I | CSO133 | electrostatic stabiliser, metal ligand |
I | TYR134 | 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 | THR129 | activator, electrostatic stabiliser, metal ligand |
L | SER132 | electrostatic stabiliser, metal ligand |
L | CSO133 | electrostatic stabiliser, metal ligand |
L | TYR134 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, metal ligand |