MolNFT v1 · #137054 · protein
Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir
5VCE · Cytochrome P450 3A4: “Crystal structure of the cysteine depleted CYP3A4 bound to ritonavir”. X-ray diffraction, 2 ligands (HEM, RIT), 4 pockets (best druggability 0.86). MolNFT v1 #137054 on GenesisL1: 3D structure, binding sites…
- PDB
- 5VCE
- Type
- protein
- Length
- 457 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 3A4
- EC
- 1.14.13.157, 1.14.13.32, 1.14.13.67, 1.14.13.9
- UniProt
- P08684
- Ligands
- HEM, RIT
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 3A4 (EC 1.14.13.157, 1.14.13.32, 1.14.13.67, 1.14.13.9) | protein | 457 | 51% helix, 10% strand | P08684 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.86 | 0.87 | 79 | HEM, RIT |
| 2 | 113 | 0.50 | 0.81 | 22 | empty |
| 3 | 212 | 0.47 | 0.74 | 28 | empty |
| 4 | 99 | 0.35 | 0.74 | 16 | empty |
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 P08684
- Elsewhere: RCSB PDB 5VCE · PDBe 5VCE · UniProt P08684
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