5PGZ
CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005496 | molecular_function | steroid binding |
| A | 0005783 | cellular_component | endoplasmic reticulum |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006704 | biological_process | glucocorticoid biosynthetic process |
| A | 0006706 | biological_process | steroid catabolic process |
| A | 0006713 | biological_process | glucocorticoid catabolic process |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008212 | biological_process | mineralocorticoid metabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0030324 | biological_process | lung development |
| A | 0031965 | cellular_component | nuclear membrane |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0043231 | cellular_component | intracellular membrane-bounded organelle |
| A | 0043456 | biological_process | regulation of pentose-phosphate shunt |
| A | 0045177 | cellular_component | apical part of cell |
| A | 0047022 | molecular_function | 7-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| A | 0050661 | molecular_function | NADP binding |
| A | 0070524 | molecular_function | 11-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| A | 0102196 | molecular_function | cortisol dehydrogenase activity |
| B | 0005496 | molecular_function | steroid binding |
| B | 0005783 | cellular_component | endoplasmic reticulum |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0006704 | biological_process | glucocorticoid biosynthetic process |
| B | 0006706 | biological_process | steroid catabolic process |
| B | 0006713 | biological_process | glucocorticoid catabolic process |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0008212 | biological_process | mineralocorticoid metabolic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0030324 | biological_process | lung development |
| B | 0031965 | cellular_component | nuclear membrane |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0043231 | cellular_component | intracellular membrane-bounded organelle |
| B | 0043456 | biological_process | regulation of pentose-phosphate shunt |
| B | 0045177 | cellular_component | apical part of cell |
| B | 0047022 | molecular_function | 7-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| B | 0050661 | molecular_function | NADP binding |
| B | 0070524 | molecular_function | 11-beta-hydroxysteroid dehydrogenase (NADP+) activity |
| B | 0102196 | molecular_function | cortisol dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | binding site for residue NAP A 301 |
| Chain | Residue |
| A | GLY41 |
| A | THR92 |
| A | MET93 |
| A | ASN119 |
| A | ILE121 |
| A | ILE168 |
| A | SER169 |
| A | SER170 |
| A | TYR183 |
| A | LYS187 |
| A | LEU215 |
| A | SER43 |
| A | GLY216 |
| A | ILE218 |
| A | THR220 |
| A | THR222 |
| A | ALA223 |
| A | 8KG302 |
| A | LYS44 |
| A | GLY45 |
| A | ILE46 |
| A | ALA65 |
| A | ARG66 |
| A | SER67 |
| A | GLY91 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue 8KG A 302 |
| Chain | Residue |
| A | THR124 |
| A | SER170 |
| A | LEU171 |
| A | GLN177 |
| A | TYR183 |
| A | ALA223 |
| A | ILE227 |
| A | NAP301 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | GLY45 |
| A | ARG48 |
| A | THR220 |
| A | GLU221 |
| A | LYS238 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | ARG66 |
| A | GLN123 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 305 |
| Chain | Residue |
| A | LYS253 |
| A | SER254 |
| A | GLU255 |
| site_id | AC6 |
| Number of Residues | 26 |
| Details | binding site for residue NAP B 301 |
| Chain | Residue |
| B | GLY41 |
| B | SER43 |
| B | LYS44 |
| B | GLY45 |
| B | ILE46 |
| B | ALA65 |
| B | ARG66 |
| B | SER67 |
| B | GLY91 |
| B | THR92 |
| B | MET93 |
| B | ASN119 |
| B | HIS120 |
| B | ILE121 |
| B | ILE168 |
| B | SER169 |
| B | SER170 |
| B | TYR183 |
| B | LYS187 |
| B | LEU215 |
| B | GLY216 |
| B | ILE218 |
| B | THR220 |
| B | THR222 |
| B | ALA223 |
| B | 8KG302 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue 8KG B 302 |
| Chain | Residue |
| B | THR124 |
| B | SER170 |
| B | LEU171 |
| B | GLN177 |
| B | TYR183 |
| B | ALA223 |
| B | ILE227 |
| B | NAP301 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 303 |
| Chain | Residue |
| B | LYS44 |
| B | GLY45 |
| B | ARG48 |
| B | THR220 |
| B | GLU221 |
| B | THR222 |
| B | LYS238 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 304 |
| Chain | Residue |
| B | LYS253 |
| B | SER254 |
| B | GLU255 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SlagkmtqpmIapYSASKFALdGFFsTIR |
| Chain | Residue | Details |
| A | SER170-ARG198 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 534 |
| Details | TOPO_DOM: Lumenal => ECO:0000255 |
| Chain | Residue | Details |
| A | GLU25-ASN292 | |
| B | GLU25-ASN292 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | TYR183 | |
| B | TYR183 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ASN119 | |
| A | SER170 | |
| A | TYR183 | |
| B | GLY41 | |
| B | THR92 | |
| B | ASN119 | |
| B | SER170 | |
| B | TYR183 | |
| A | GLY41 | |
| A | THR92 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P28845 |
| Chain | Residue | Details |
| A | ILE218 | |
| B | ILE218 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255 |
| Chain | Residue | Details |
| B | ASN162 | |
| B | ASN207 | |
| A | ASN162 | |
| A | ASN207 |
