MolNFT v1 · #61079 · protein
Crystal structure of human CYP7A1
3DAX · Cytochrome P450 7A1: “Crystal structure of human CYP7A1”. X-ray diffraction, 2 ligands (HEM, UNX), 12 pockets (best druggability 0.87). MolNFT v1 #61079 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3DAX
- Type
- protein
- Length
- 942 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 7A1
- EC
- 1.14.13.17
- UniProt
- P22680
- Ligands
- HEM, UNX
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 7A1 (EC 1.14.13.17) | protein | 472 | 49% helix, 16% strand | P22680 |
| B | Cytochrome P450 7A1 (EC 1.14.13.17) | protein | 470 | 49% helix, 16% strand | P22680 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.87 | 0.88 | 75 | HEM, UNX |
| 2 | 858 | 0.86 | 0.88 | 68 | HEM, UNX |
| 3 | 178 | 0.50 | 0.77 | 23 | empty |
| 4 | 168 | 0.50 | 0.77 | 23 | empty |
| 5 | 163 | 0.49 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1216 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P22680
- Elsewhere: RCSB PDB 3DAX · PDBe 3DAX · UniProt P22680
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