3V8D
Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006699 | biological_process | bile acid biosynthetic process |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0008123 | molecular_function | cholesterol 7-alpha-monooxygenase activity |
| A | 0008206 | biological_process | bile acid metabolic process |
| A | 0016125 | biological_process | sterol metabolic process |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0020037 | molecular_function | heme binding |
| A | 0032966 | biological_process | negative regulation of collagen biosynthetic process |
| A | 0033782 | molecular_function | 24S-hydroxycholesterol 7-alpha-hydroxylase activity |
| A | 0042632 | biological_process | cholesterol homeostasis |
| A | 0043231 | cellular_component | intracellular membrane-bounded organelle |
| A | 0045471 | biological_process | response to ethanol |
| A | 0045542 | biological_process | positive regulation of cholesterol biosynthetic process |
| A | 0045717 | biological_process | negative regulation of fatty acid biosynthetic process |
| A | 0070857 | biological_process | regulation of bile acid biosynthetic process |
| A | 0071333 | biological_process | cellular response to glucose stimulus |
| A | 0071397 | biological_process | cellular response to cholesterol |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0006699 | biological_process | bile acid biosynthetic process |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0008123 | molecular_function | cholesterol 7-alpha-monooxygenase activity |
| B | 0008206 | biological_process | bile acid metabolic process |
| B | 0016125 | biological_process | sterol metabolic process |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0020037 | molecular_function | heme binding |
| B | 0032966 | biological_process | negative regulation of collagen biosynthetic process |
| B | 0033782 | molecular_function | 24S-hydroxycholesterol 7-alpha-hydroxylase activity |
| B | 0042632 | biological_process | cholesterol homeostasis |
| B | 0043231 | cellular_component | intracellular membrane-bounded organelle |
| B | 0045471 | biological_process | response to ethanol |
| B | 0045542 | biological_process | positive regulation of cholesterol biosynthetic process |
| B | 0045717 | biological_process | negative regulation of fatty acid biosynthetic process |
| B | 0070857 | biological_process | regulation of bile acid biosynthetic process |
| B | 0071333 | biological_process | cellular response to glucose stimulus |
| B | 0071397 | biological_process | cellular response to cholesterol |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HEM A 601 |
| Chain | Residue |
| A | HIS101 |
| A | ASN362 |
| A | PRO436 |
| A | PHE437 |
| A | THR442 |
| A | ILE443 |
| A | CYS444 |
| A | PRO445 |
| A | ALA450 |
| A | GLU453 |
| A | ILE488 |
| A | PHE129 |
| A | 0GV602 |
| A | HOH701 |
| A | HOH798 |
| A | HOH805 |
| A | HOH843 |
| A | LEU133 |
| A | ALA285 |
| A | SER286 |
| A | ASN289 |
| A | THR290 |
| A | ALA293 |
| A | SER360 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0GV A 602 |
| Chain | Residue |
| A | HIS101 |
| A | ILE114 |
| A | ILE125 |
| A | ARG260 |
| A | TRP284 |
| A | ALA285 |
| A | SER360 |
| A | LEU361 |
| A | GLY485 |
| A | LEU486 |
| A | HEM601 |
| A | HOH701 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 603 |
| Chain | Residue |
| A | HIS65 |
| A | VAL66 |
| A | ASN81 |
| A | SER84 |
| A | LEU374 |
| A | ASP376 |
| A | GLY377 |
| A | TYR379 |
| A | HOH707 |
| A | HOH750 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 604 |
| Chain | Residue |
| A | LYS500 |
| A | PHE501 |
| A | LYS502 |
| A | HIS503 |
| A | HIS504 |
| B | GLN28 |
| B | THR29 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 605 |
| Chain | Residue |
| A | GLU251 |
| A | SER252 |
| A | ILE253 |
| B | HIS136 |
| B | ASN139 |
| site_id | AC6 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE HEM B 601 |
| Chain | Residue |
| B | HIS101 |
| B | PHE129 |
| B | LEU133 |
| B | ALA285 |
| B | SER286 |
| B | ASN289 |
| B | THR290 |
| B | ALA293 |
| B | SER360 |
| B | ASN362 |
| B | PRO436 |
| B | PHE437 |
| B | THR442 |
| B | CYS444 |
| B | PRO445 |
| B | ALA450 |
| B | GLU453 |
| B | ILE488 |
| B | 0GV602 |
| B | HOH701 |
| B | HOH719 |
| B | HOH761 |
| B | HOH823 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0GV B 602 |
| Chain | Residue |
| B | HIS101 |
| B | ILE114 |
| B | ILE125 |
| B | ARG260 |
| B | TRP284 |
| B | ALA285 |
| B | SER360 |
| B | LEU361 |
| B | GLY485 |
| B | LEU486 |
| B | HEM601 |
| B | HOH701 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 B 603 |
| Chain | Residue |
| B | ASP376 |
| B | GLY377 |
| B | TYR379 |
| B | HOH732 |
| B | HOH733 |
| B | HIS65 |
| B | VAL66 |
| B | ASN81 |
| B | SER84 |
| B | LEU374 |
| B | GLU375 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 604 |
| Chain | Residue |
| A | TYR41 |
| A | CYS44 |
| A | ALA45 |
| A | GLN47 |
| B | TYR41 |
| B | CYS44 |
| B | ALA45 |
| B | GLN47 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 605 |
| Chain | Residue |
| A | HIS136 |
| A | ASN139 |
| B | SER252 |
| B | ILE253 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGsGATICPG |
| Chain | Residue | Details |
| A | PHE437-GLY446 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"axial binding residue","evidences":[{"source":"PDB","id":"3DAX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
