MolNFT v1 · #134523 · protein
Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: an N- alkane and fatty acid omega-hydroxylase with a covalently bound heme
5T6Q: “Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: an N- alkane and fatty acid…”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.87). MolNFT v1 #134523 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5T6Q
- Type
- protein
- Length
- 472 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 4B1
- EC
- 1.14.14.1
- UniProt
- P15128
- Ligands
- HEM
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 4B1 (EC 1.14.14.1) | protein | 472 | 55% helix, 10% strand | P15128 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.87 | 0.93 | 78 | HEM, OCT |
| 2 | 148 | 0.42 | 0.74 | 20 | empty |
| 3 | 89 | 0.35 | 0.74 | 22 | empty |
| 4 | 65 | 0.35 | 0.77 | 15 | empty |
| 5 | 72 | 0.33 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 1 cofactor (heme attachment).
Compared structures
- 5T6Q · Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty… · the same entry in another collection · chain A against A, TM-score 1.00
- P15128 · AlphaFold monomer V2.0 prediction for cytochrome P450 4B1 (P15128) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P15128
- Elsewhere: RCSB PDB 5T6Q · PDBe 5T6Q · UniProt P15128
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