MolNFT v1 · #56783 · protein
Substrate-free form of cytochrome P450BSBETA
2ZQJ · Cytochrome P450 152A1: “Substrate-free form of cytochrome P450BSBETA”. X-ray diffraction, 1 ligand (HEM), 11 pockets (best druggability 0.87). MolNFT v1 #56783 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZQJ
- Type
- protein
- Length
- 1,233 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 152A1
- EC
- 1.14.-.-
- UniProt
- O31440
- Ligands
- HEM
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Cytochrome P450 152A1 (EC 1.14.-.-) | protein | 411 | 52% helix, 11% strand | O31440 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.87 | 0.90 | 66 | HEM |
| 2 | 754 | 0.87 | 0.89 | 67 | HEM |
| 3 | 811 | 0.87 | 0.89 | 67 | HEM |
| 4 | 255 | 0.52 | 0.75 | 35 | empty |
| 5 | 188 | 0.48 | 0.76 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 41 Ų buried · 0 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 O31440
- Elsewhere: RCSB PDB 2ZQJ · PDBe 2ZQJ · UniProt O31440
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