MolNFT v1 · #157670 · protein
Crystal structure of a cytochrome P450 (CYP102L1)
6N6Q: “Crystal structure of a cytochrome P450 (CYP102L1)”. X-ray diffraction, 1 ligand (HEM), 17 pockets (best druggability 0.87). MolNFT v1 #157670 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N6Q
- Type
- protein
- Length
- 1,777 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 (CYP102L1)
- UniProt
- V5UQK0
- Ligands
- HEM
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 (CYP102L1) | protein | 446 | 52% helix, 11% strand | V5UQK0 |
| B | Cytochrome P450 (CYP102L1) | protein | 448 | 50% helix, 11% strand | V5UQK0 |
| C | Cytochrome P450 (CYP102L1) | protein | 443 | 51% helix, 10% strand | V5UQK0 |
| D | Cytochrome P450 (CYP102L1) | protein | 440 | 48% helix, 12% strand | V5UQK0 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- CAC · Cacodylate ion · additive · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.87 | 0.88 | 110 | HEM |
| 2 | 700 | 0.86 | 0.89 | 72 | HEM |
| 3 | 985 | 0.85 | 0.86 | 97 | HEM |
| 4 | 814 | 0.84 | 0.86 | 76 | HEM |
| 5 | 1200 | 0.76 | 0.78 | 113 | CAC |
Interfaces
2 interfaces between chains.
- A–D · 1142 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 18 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6N6Q · Crystal structure of a Cytochrome P450 (CYP102L1) · 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 V5UQK0
- Elsewhere: RCSB PDB 6N6Q · PDBe 6N6Q · UniProt V5UQK0
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