2WJ6
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A COMPLEXED WITH ITS NATURAL PRODUCT N- ACETYLANTHRANILATE
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003824 | molecular_function | catalytic activity |
A | 0009056 | biological_process | catabolic process |
A | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
A | 0050586 | molecular_function | 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity |
A | 0051213 | molecular_function | dioxygenase activity |
B | 0003824 | molecular_function | catalytic activity |
B | 0009056 | biological_process | catabolic process |
B | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
B | 0050586 | molecular_function | 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity |
B | 0051213 | molecular_function | dioxygenase activity |
C | 0003824 | molecular_function | catalytic activity |
C | 0009056 | biological_process | catabolic process |
C | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
C | 0050586 | molecular_function | 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity |
C | 0051213 | molecular_function | dioxygenase activity |
D | 0003824 | molecular_function | catalytic activity |
D | 0009056 | biological_process | catabolic process |
D | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
D | 0050586 | molecular_function | 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase activity |
D | 0051213 | molecular_function | dioxygenase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1276 |
Chain | Residue |
A | ALA235 |
A | PHE241 |
A | K1282 |
D | ASP158 |
D | ASP162 |
D | GLY163 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL C 1275 |
Chain | Residue |
C | HOH2214 |
C | ASP53 |
C | ARG273 |
C | HOH2048 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL D 1275 |
Chain | Residue |
D | THR4 |
D | TYR5 |
D | ALA207 |
D | HIS238 |
site_id | AC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL B 1276 |
Chain | Residue |
B | THR2 |
B | PHE234 |
B | HIS238 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL C 1276 |
Chain | Residue |
B | ALA235 |
B | PHE241 |
B | TYR243 |
B | K1281 |
B | HOH2158 |
C | ASP158 |
site_id | AC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL A 1277 |
Chain | Residue |
A | TRP149 |
A | ARG150 |
A | HOH2170 |
site_id | AC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL A 1278 |
Chain | Residue |
A | LEU128 |
A | TRP130 |
A | ALA131 |
A | PRO132 |
A | LYS133 |
A | PHE136 |
A | TYR196 |
A | GOL1279 |
site_id | AC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1279 |
Chain | Residue |
A | LEU128 |
A | PHE136 |
A | VAL159 |
A | TRP160 |
A | GOL1278 |
A | HOH2141 |
A | HOH2173 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 1280 |
Chain | Residue |
A | LYS245 |
A | LEU246 |
A | GLY247 |
A | GOL1281 |
site_id | BC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1281 |
Chain | Residue |
A | LYS245 |
A | GOL1280 |
A | HOH2171 |
D | HIS164 |
D | ASP165 |
D | GLU166 |
D | HOH2093 |
site_id | BC2 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE GOL C 1277 |
Chain | Residue |
C | SER101 |
C | HIS102 |
C | ASP126 |
C | TRP127 |
C | LEU128 |
C | PHE136 |
C | TRP160 |
C | HIS251 |
C | ZZ81280 |
C | HOH2100 |
C | HOH2173 |
C | HOH2215 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1277 |
Chain | Residue |
B | LYS245 |
B | LEU246 |
B | GLY247 |
B | GOL1280 |
B | HOH2181 |
site_id | BC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL D 1276 |
Chain | Residue |
D | SER101 |
D | HIS102 |
D | ASP126 |
D | TRP127 |
D | LEU128 |
D | PHE136 |
D | TRP160 |
D | HIS251 |
D | ZZ81278 |
D | HOH2125 |
site_id | BC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL C 1278 |
Chain | Residue |
C | GLY75 |
C | TYR76 |
C | GLN77 |
C | VAL191 |
C | ASP194 |
C | ALA195 |
site_id | BC6 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL B 1278 |
Chain | Residue |
B | HIS164 |
B | ASP165 |
B | GOL1279 |
B | HOH2110 |
B | HOH2184 |
D | LYS245 |
D | LEU246 |
D | GLY247 |
site_id | BC7 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GOL B 1279 |
Chain | Residue |
B | GOL1278 |
B | HOH2185 |
D | GLY247 |
site_id | BC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1280 |
Chain | Residue |
C | ASP165 |
C | GLU166 |
B | LYS245 |
B | GOL1277 |
C | HIS164 |
site_id | BC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE K C 1279 |
Chain | Residue |
C | ALA235 |
C | HIS238 |
C | PHE241 |
C | HOH2184 |
C | HOH2185 |
C | HOH2191 |
site_id | CC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE K A 1282 |
Chain | Residue |
A | ALA235 |
A | HIS238 |
A | PRO239 |
A | PHE241 |
A | GOL1276 |
A | HOH2169 |
D | HOH2086 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE K D 1277 |
Chain | Residue |
D | ALA235 |
D | HIS238 |
D | PRO239 |
D | PHE241 |
D | HOH2134 |
D | HOH2137 |
site_id | CC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE K B 1281 |
Chain | Residue |
B | ALA235 |
B | HIS238 |
B | PRO239 |
B | PHE241 |
B | HOH2158 |
C | GOL1276 |
C | HOH2126 |
site_id | CC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE K A 1283 |
Chain | Residue |
A | ASP165 |
A | SRT1286 |
A | HOH2099 |
site_id | CC5 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE ZZ8 A 1284 |
Chain | Residue |
A | TRP36 |
A | HIS38 |
A | HIS100 |
A | SER101 |
A | HIS102 |
A | TRP160 |
A | TRP185 |
A | SER188 |
A | ILE192 |
A | HIS251 |
A | HOH2172 |
A | HOH2173 |
site_id | CC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE ZZ8 B 1282 |
Chain | Residue |
B | TRP36 |
B | HIS38 |
B | HIS100 |
B | SER101 |
B | HIS102 |
B | TRP160 |
B | TRP185 |
B | SER188 |
B | ILE192 |
B | HIS251 |
B | HOH2188 |
site_id | CC7 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE ZZ8 C 1280 |
Chain | Residue |
C | TRP36 |
C | HIS38 |
C | HIS100 |
C | SER101 |
C | HIS102 |
C | TRP160 |
C | TRP185 |
C | SER188 |
C | ILE192 |
C | HIS251 |
C | GOL1277 |
C | HOH2036 |
site_id | CC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE ZZ8 D 1278 |
Chain | Residue |
D | TRP36 |
D | HIS38 |
D | HIS100 |
D | SER101 |
D | HIS102 |
D | TRP160 |
D | TRP185 |
D | SER188 |
D | ILE192 |
D | HIS251 |
D | GOL1276 |
site_id | CC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SRT A 1285 |
Chain | Residue |
A | LYS167 |
A | ARG170 |
A | HIS171 |
A | HOH2175 |
A | HOH2176 |
C | ARG260 |
C | VAL263 |
site_id | DC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SRT B 1283 |
Chain | Residue |
B | LYS167 |
B | ARG170 |
B | HIS171 |
B | HOH2189 |
B | HOH2190 |
D | ARG260 |
D | VAL263 |
site_id | DC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SRT C 1281 |
Chain | Residue |
B | ARG260 |
B | VAL263 |
C | LYS167 |
C | ARG170 |
C | HIS171 |
C | HOH2216 |
site_id | DC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SRT D 1279 |
Chain | Residue |
A | ARG260 |
A | VAL263 |
D | LYS167 |
D | ARG170 |
D | HIS171 |
D | HOH2156 |
site_id | DC4 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE SRT A 1286 |
Chain | Residue |
A | HIS164 |
A | ASP165 |
A | K1283 |
A | HOH2177 |
A | HOH2178 |
A | HOH2179 |
C | LYS245 |
C | LEU246 |
C | GLY247 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton donor/acceptor => ECO:0000269|PubMed:16187153 |
Chain | Residue | Details |
A | HIS251 | |
B | HIS251 | |
C | HIS251 | |
D | HIS251 |
site_id | SWS_FT_FI2 |
Number of Residues | 12 |
Details | BINDING: |
Chain | Residue | Details |
A | TRP36 | |
D | TRP36 | |
D | HIS100 | |
D | TRP160 | |
A | HIS100 | |
A | TRP160 | |
B | TRP36 | |
B | HIS100 | |
B | TRP160 | |
C | TRP36 | |
C | HIS100 | |
C | TRP160 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | SITE: Increases basicity of active site His => ECO:0000250|UniProtKB:B1MFK2 |
Chain | Residue | Details |
A | ASP126 | |
B | ASP126 | |
C | ASP126 | |
D | ASP126 |