4XO6
Crystal structure of human 3-alpha hydroxysteroid dehydrogenase type 3 in complex with NADP+, 5alpha-androstan-3,17-dione and (3beta, 5alpha)-3-hydroxyandrostan-17-one
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
A | 0004303 | molecular_function | estradiol 17-beta-dehydrogenase [NAD(P)+] activity |
A | 0005737 | cellular_component | cytoplasm |
A | 0005829 | cellular_component | cytosol |
A | 0006693 | biological_process | prostaglandin metabolic process |
A | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
A | 0007586 | biological_process | digestion |
A | 0008202 | biological_process | steroid metabolic process |
A | 0008284 | biological_process | positive regulation of cell population proliferation |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
A | 0030855 | biological_process | epithelial cell differentiation |
A | 0031406 | molecular_function | carboxylic acid binding |
A | 0032052 | molecular_function | bile acid binding |
A | 0042448 | biological_process | progesterone metabolic process |
A | 0044597 | biological_process | daunorubicin metabolic process |
A | 0044598 | biological_process | doxorubicin metabolic process |
A | 0047023 | molecular_function | androsterone dehydrogenase activity |
A | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
A | 0047086 | molecular_function | ketosteroid monooxygenase activity |
A | 0047115 | molecular_function | trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity |
A | 0047718 | molecular_function | indanol dehydrogenase activity |
A | 0051897 | biological_process | positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction |
A | 0071395 | biological_process | cellular response to jasmonic acid stimulus |
A | 0071799 | biological_process | cellular response to prostaglandin D stimulus |
B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
B | 0004303 | molecular_function | estradiol 17-beta-dehydrogenase [NAD(P)+] activity |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0006693 | biological_process | prostaglandin metabolic process |
B | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
B | 0007586 | biological_process | digestion |
B | 0008202 | biological_process | steroid metabolic process |
B | 0008284 | biological_process | positive regulation of cell population proliferation |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0016655 | molecular_function | oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
B | 0030855 | biological_process | epithelial cell differentiation |
B | 0031406 | molecular_function | carboxylic acid binding |
B | 0032052 | molecular_function | bile acid binding |
B | 0042448 | biological_process | progesterone metabolic process |
B | 0044597 | biological_process | daunorubicin metabolic process |
B | 0044598 | biological_process | doxorubicin metabolic process |
B | 0047023 | molecular_function | androsterone dehydrogenase activity |
B | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
B | 0047086 | molecular_function | ketosteroid monooxygenase activity |
B | 0047115 | molecular_function | trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity |
B | 0047718 | molecular_function | indanol dehydrogenase activity |
B | 0051897 | biological_process | positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction |
B | 0071395 | biological_process | cellular response to jasmonic acid stimulus |
B | 0071799 | biological_process | cellular response to prostaglandin D stimulus |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 36 |
Details | binding site for residue NAP A 401 |
Chain | Residue |
A | GLY22 |
A | GLN190 |
A | TYR216 |
A | SER217 |
A | ALA218 |
A | LEU219 |
A | GLY220 |
A | SER221 |
A | HIS222 |
A | ALA253 |
A | LEU268 |
A | THR23 |
A | LYS270 |
A | SER271 |
A | TYR272 |
A | ARG276 |
A | GLN279 |
A | ASN280 |
A | 5SD402 |
A | HOH617 |
A | HOH639 |
A | HOH709 |
A | TYR24 |
A | HOH748 |
A | HOH760 |
A | HOH814 |
A | HOH826 |
A | HOH833 |
A | HOH851 |
A | HOH870 |
A | ASP50 |
A | TYR55 |
A | LYS84 |
A | HIS117 |
A | SER166 |
A | ASN167 |
site_id | AC2 |
Number of Residues | 9 |
Details | binding site for residue 5SD A 402 |
Chain | Residue |
A | TYR24 |
A | VAL54 |
A | TRP86 |
A | HIS117 |
A | ILE129 |
A | LEU308 |
A | NAP401 |
A | HOH639 |
A | HOH892 |
site_id | AC3 |
Number of Residues | 11 |
Details | binding site for residue SO4 A 403 |
Chain | Residue |
A | ARG200 |
A | LYS207 |
A | ARG263 |
A | HOH707 |
A | HOH811 |
A | HOH824 |
A | HOH853 |
B | GLN262 |
B | SER290 |
B | MET293 |
B | HOH786 |
site_id | AC4 |
Number of Residues | 3 |
Details | binding site for residue EDO A 404 |
Chain | Residue |
A | ARG250 |
A | LEU254 |
A | GLN282 |
site_id | AC5 |
Number of Residues | 7 |
Details | binding site for residue GOL A 405 |
Chain | Residue |
A | GLU93 |
A | ALA150 |
A | LYS153 |
A | HOH534 |
A | HOH562 |
A | HOH695 |
A | HOH850 |
site_id | AC6 |
Number of Residues | 35 |
Details | binding site for residue NAP B 401 |
Chain | Residue |
B | HOH757 |
B | HOH826 |
B | GLY22 |
B | THR23 |
B | TYR24 |
B | ASP50 |
B | TYR55 |
B | LYS84 |
B | HIS117 |
B | SER166 |
B | ASN167 |
B | GLN190 |
B | TYR216 |
B | SER217 |
B | ALA218 |
B | LEU219 |
B | GLY220 |
B | SER221 |
B | HIS222 |
B | ALA253 |
B | LEU268 |
B | ALA269 |
B | LYS270 |
B | SER271 |
B | TYR272 |
B | ARG276 |
B | GLN279 |
B | ASN280 |
B | HOH620 |
B | HOH646 |
B | HOH675 |
B | HOH684 |
B | HOH730 |
B | HOH736 |
B | HOH739 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue AOX B 402 |
Chain | Residue |
B | TYR24 |
B | VAL54 |
B | ILE129 |
B | HIS222 |
B | LEU306 |
site_id | AC8 |
Number of Residues | 9 |
Details | binding site for residue SO4 B 403 |
Chain | Residue |
A | GLN262 |
A | SER290 |
A | HOH824 |
B | ARG200 |
B | LYS207 |
B | ARG263 |
B | HOH686 |
B | HOH786 |
B | HOH788 |
site_id | AC9 |
Number of Residues | 4 |
Details | binding site for residue EDO B 404 |
Chain | Residue |
B | ARG250 |
B | LEU254 |
B | GLN282 |
B | HOH854 |
Functional Information from PROSITE/UniProt
site_id | PS00062 |
Number of Residues | 18 |
Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF |
Chain | Residue | Details |
A | MET151-PHE168 |
site_id | PS00063 |
Number of Residues | 16 |
Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV |
Chain | Residue | Details |
A | LEU268-VAL283 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Proton donor |
Chain | Residue | Details |
A | TYR55 | |
B | TYR55 |
site_id | SWS_FT_FI2 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 |
Chain | Residue | Details |
A | GLY20 | |
B | GLN190 | |
B | TYR216 | |
B | LYS270 | |
A | ASP50 | |
A | SER166 | |
A | GLN190 | |
A | TYR216 | |
A | LYS270 | |
B | GLY20 | |
B | ASP50 | |
B | SER166 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | TYR24 | |
A | HIS222 | |
B | TYR24 | |
B | HIS222 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | BINDING: |
Chain | Residue | Details |
A | HIS117 | |
A | TRP227 | |
B | HIS117 | |
B | TRP227 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | SITE: Lowers pKa of active site Tyr => ECO:0000250 |
Chain | Residue | Details |
A | LYS84 | |
B | LYS84 |