MolNFT v1 · #23124 · protein
Crystal structure of human microsomal P450 3A4
1TQN · Cytochrome P450 3A4: “Crystal structure of human microsomal P450 3A4”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.88). MolNFT v1 #23124 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TQN
- Type
- protein
- Length
- 468 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 3A4
- EC
- 1.14.14.1
- UniProt
- P08684
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 3A4 (EC 1.14.14.1) | protein | 468 | 51% helix, 9% strand | P08684 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.88 | 0.89 | 93 | HEM |
| 2 | 159 | 0.52 | 0.79 | 24 | empty |
| 3 | 185 | 0.46 | 0.74 | 24 | empty |
| 4 | 98 | 0.44 | 0.79 | 29 | 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 1TQN · PDBe 1TQN · UniProt P08684
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