MolNFT v1 · #148495 · protein
Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine
6F8A: “Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine”. X-ray diffraction, 2 ligands (HEM, HIS), 8 pockets (best druggability 0.88). MolNFT v1 #148495 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6F8A
- Type
- protein
- Length
- 788 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 CYP260A1
- EC
- 1.14.-.-
- UniProt
- A9FDB7
- Ligands
- HEM, HIS
- Pockets
- 8 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 CYP260A1 (EC 1.14.-.-) | protein | 394 | 53% helix, 11% strand | A9FDB7 |
| B | Cytochrome P450 CYP260A1 (EC 1.14.-.-) | protein | 394 | 55% helix, 11% strand | A9FDB7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- HIS · Histidine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 655 | 0.88 | 0.92 | 58 | HEM, HIS |
| 2 | 635 | 0.87 | 0.92 | 56 | HEM, HIS |
| 3 | 326 | 0.60 | 0.78 | 48 | empty |
| 4 | 174 | 0.59 | 0.82 | 28 | empty |
| 5 | 78 | 0.39 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 856 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6F8A · Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine · the same entry in another collection · 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 A9FDB7
- Elsewhere: RCSB PDB 6F8A · PDBe 6F8A · UniProt A9FDB7
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