1YKJ
A45G p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| A | 0018659 | molecular_function | 4-hydroxybenzoate 3-monooxygenase activity |
| A | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| A | 0043639 | biological_process | benzoate catabolic process |
| A | 0043640 | biological_process | benzoate catabolic process via hydroxylation |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0071949 | molecular_function | FAD binding |
| A | 0106356 | molecular_function | 4-hydroxybenzoate 3-monooxygenase [NADPH] activity |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| B | 0018659 | molecular_function | 4-hydroxybenzoate 3-monooxygenase activity |
| B | 0019439 | biological_process | obsolete aromatic compound catabolic process |
| B | 0043639 | biological_process | benzoate catabolic process |
| B | 0043640 | biological_process | benzoate catabolic process via hydroxylation |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0071949 | molecular_function | FAD binding |
| B | 0106356 | molecular_function | 4-hydroxybenzoate 3-monooxygenase [NADPH] activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 701 |
| Chain | Residue |
| A | VAL1176 |
| A | HOH3059 |
| A | HOH3408 |
| A | HOH3555 |
| B | ASP2357 |
| B | ALA2358 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 702 |
| Chain | Residue |
| B | LYS2089 |
| B | ARG2090 |
| B | HOH3322 |
| B | HOH3415 |
| B | HOH3417 |
| B | HOH3473 |
| B | ARG2085 |
| B | ASP2087 |
| B | LEU2088 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 703 |
| Chain | Residue |
| B | PRO2248 |
| B | SER2249 |
| B | HOH3241 |
| B | HOH3507 |
| B | HOH3545 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 704 |
| Chain | Residue |
| A | SER1235 |
| A | ASP1236 |
| A | LYS1263 |
| A | HOH3106 |
| A | HOH3158 |
| A | HOH3359 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 705 |
| Chain | Residue |
| A | VAL1071 |
| A | HIS1072 |
| A | GLU1073 |
| A | GLY1074 |
| A | ARG1085 |
| A | GLU1198 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 706 |
| Chain | Residue |
| B | ASP2131 |
| B | GLY2134 |
| B | GLU2135 |
| B | ARG2136 |
| B | SER2228 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 707 |
| Chain | Residue |
| B | ARG2042 |
| B | ILE2043 |
| B | ARG2044 |
| B | ARG2220 |
| B | GLU2262 |
| B | SER2264 |
| B | HOH3079 |
| B | HOH3163 |
| B | HOH3297 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 708 |
| Chain | Residue |
| A | TYR1038 |
| A | ARG1042 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 709 |
| Chain | Residue |
| A | ARG1042 |
| A | ILE1043 |
| A | ARG1044 |
| A | ARG1220 |
| A | GLU1262 |
| A | SER1264 |
| A | HOH3296 |
| A | HOH3515 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 711 |
| Chain | Residue |
| B | GLN2277 |
| B | HIS2278 |
| B | GLY2279 |
| B | HOH3045 |
| B | HOH3111 |
| B | HOH3227 |
| B | HOH3350 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 712 |
| Chain | Residue |
| B | SER2235 |
| B | ASP2236 |
| B | LYS2263 |
| B | HOH3239 |
| B | HOH3395 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 713 |
| Chain | Residue |
| B | GLN2133 |
| B | PRO2170 |
| B | ARG2173 |
| B | HIS2278 |
| B | HOH3434 |
| site_id | BC4 |
| Number of Residues | 38 |
| Details | BINDING SITE FOR RESIDUE FAD A 1395 |
| Chain | Residue |
| A | LYS1297 |
| A | GLY1298 |
| A | LEU1299 |
| A | ASN1300 |
| A | PHB1396 |
| A | HOH3008 |
| A | HOH3024 |
| A | HOH3035 |
| A | HOH3050 |
| A | HOH3293 |
| A | HOH3431 |
| A | HOH3467 |
| A | ILE1008 |
| A | GLY1009 |
| A | GLY1011 |
| A | PRO1012 |
| A | SER1013 |
| A | LEU1031 |
| A | GLU1032 |
| A | ARG1033 |
| A | GLN1034 |
| A | VAL1039 |
| A | ARG1042 |
| A | ARG1044 |
| A | GLY1045 |
| A | GLY1046 |
| A | VAL1047 |
| A | GLN1102 |
| A | VAL1127 |
| A | CYS1158 |
| A | ASP1159 |
| A | GLY1160 |
| A | GLY1163 |
| A | ILE1164 |
| A | GLY1285 |
| A | ASP1286 |
| A | PRO1293 |
| A | ALA1296 |
| site_id | BC5 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE FAD B 2395 |
| Chain | Residue |
| B | ILE2008 |
| B | GLY2009 |
| B | GLY2011 |
| B | PRO2012 |
| B | SER2013 |
| B | GLU2032 |
| B | ARG2033 |
| B | GLN2034 |
| B | VAL2039 |
| B | ARG2042 |
| B | ARG2044 |
| B | GLY2045 |
| B | GLY2046 |
| B | VAL2047 |
| B | GLN2102 |
| B | CYS2158 |
| B | ASP2159 |
| B | GLY2160 |
| B | GLY2163 |
| B | ASP2286 |
| B | PRO2293 |
| B | ALA2296 |
| B | LYS2297 |
| B | GLY2298 |
| B | LEU2299 |
| B | ASN2300 |
| B | PHB2396 |
| B | HOH3005 |
| B | HOH3007 |
| B | HOH3017 |
| B | HOH3019 |
| B | HOH3020 |
| B | HOH3023 |
| B | HOH3030 |
| B | HOH3033 |
| B | HOH3125 |
| B | HOH3440 |
| site_id | BC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE PHB A 1396 |
| Chain | Residue |
| A | ARG1044 |
| A | GLY1045 |
| A | GLY1046 |
| A | TRP1185 |
| A | LEU1199 |
| A | TYR1201 |
| A | LEU1210 |
| A | SER1212 |
| A | ARG1214 |
| A | ARG1220 |
| A | TYR1222 |
| A | PRO1293 |
| A | THR1294 |
| A | ALA1296 |
| A | FAD1395 |
| site_id | BC7 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE PHB B 2396 |
| Chain | Residue |
| B | ARG2044 |
| B | GLY2045 |
| B | GLY2046 |
| B | TYR2201 |
| B | LEU2210 |
| B | SER2212 |
| B | ARG2214 |
| B | ARG2220 |
| B | TYR2222 |
| B | PRO2293 |
| B | THR2294 |
| B | ALA2296 |
| B | FAD2395 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PSL B 714 |
| Chain | Residue |
| B | ARG2128 |
| B | HIS2162 |
| B | PRO2267 |
| B | ARG2269 |
| B | HOH3190 |
| B | HOH3424 |
| B | HOH3506 |
| site_id | BC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PSL B 715 |
| Chain | Residue |
| B | ARG2033 |
| B | ARG2033 |
| B | GLN2034 |
| B | ALA2125 |
| B | GLU2126 |
| B | ARG2128 |
| B | HOH3019 |
| B | HOH3436 |
| B | HOH3440 |
| B | HOH3471 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10600126, ECO:0000269|PubMed:11805318, ECO:0000269|PubMed:15924424, ECO:0000269|PubMed:7939628, ECO:0000269|PubMed:8312276, ECO:0000269|PubMed:8555229 |
| Chain | Residue | Details |
| A | SER1013 | |
| B | SER2013 | |
| B | GLU2032 | |
| B | ARG2042 | |
| B | GLN2102 | |
| B | TYR2201 | |
| B | SER2212 | |
| B | TYR2222 | |
| B | PRO2293 | |
| B | LEU2299 | |
| A | GLU1032 | |
| A | ARG1042 | |
| A | GLN1102 | |
| A | TYR1201 | |
| A | SER1212 | |
| A | TYR1222 | |
| A | PRO1293 | |
| A | LEU1299 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10600126, ECO:0000269|PubMed:15924424, ECO:0000269|PubMed:7939628, ECO:0000269|PubMed:8312276, ECO:0000269|PubMed:8555229 |
| Chain | Residue | Details |
| A | ASP1286 | |
| B | ASP2286 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | SITE: Important for catalytic activity => ECO:0000269|PubMed:8312276 |
| Chain | Residue | Details |
| A | TYR1201 | |
| A | TYR1385 | |
| B | TYR2201 | |
| B | TYR2385 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 131 |
| Chain | Residue | Details |
| A | HIS1072 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | TYR1201 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | PRO1293 | electrostatic stabiliser, hydrogen bond acceptor |
| A | LYS1297 | attractive charge-charge interaction, electrostatic stabiliser, steric role |
| A | TYR1385 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 131 |
| Chain | Residue | Details |
| B | HIS2072 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | TYR2201 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | PRO2293 | electrostatic stabiliser, hydrogen bond acceptor |
| B | LYS2297 | attractive charge-charge interaction, electrostatic stabiliser, steric role |
| B | TYR2385 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
