Research workbench
Crystal structure of CYP2C9 in complex with multiple losartan molecules
Analyse Crystal structure of CYP2C9 in complex with multiple losartan molecules in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5XXI
- Type
- protein
- Length
- 463 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 2C9
- EC
- 1.14.13.-, 1.14.13.80, 1.14.13.48, 1.14.13.49, 1.14.99.38
- UniProt
- P11712
- Ligands
- LSN, HEM, K
- Pockets
- 3 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2C9 (EC 1.14.13.-, 1.14.13.80, 1.14.13.48, 1.14.13.49, 1.14.99.38) | protein | 463 | 49% helix, 9% strand | P11712 |
Ligands and binding sites
- LSN · [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol · ligand · 3 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- K · Potassium ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.88 | 0.89 | 111 | LSN, HEM |
| 2 | 169 | 0.48 | 0.77 | 22 | empty |
| 3 | 67 | 0.35 | 0.77 | 14 | empty |
Compared structures
- 5XXI · Crystal structure of CYP2C9 in complex with multiple losartan molecules · the same entry in another collection · chain A against A, TM-score 1.00
- P11712 · AlphaFold monomer V2.0 prediction for cytochrome P450 2C9 (P11712) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P11712
- Elsewhere: RCSB PDB 5XXI · PDBe 5XXI · UniProt P11712
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