MolNFT v1 · #33951 · protein
Substrate assited in oxygen activation in cytochrome P450 158A2
2D0E · Putative cytochrome P450: “Substrate assited in oxygen activation in cytochrome P450 158A2”. X-ray diffraction, 2 ligands (NQ, HEM), 5 pockets (best druggability 0.86). MolNFT v1 #33951 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2D0E
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450
- EC
- 1.14.-.-
- UniProt
- Q9FCA6
- Ligands
- NQ, HEM
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 (EC 1.14.-.-) | protein | 404 | 49% helix, 10% strand | Q9FCA6 |
Ligands and binding sites
- NQ · 2-hydroxynaphthoquinone · ligand · 2 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.86 | 0.87 | 77 | HEM, NQ |
| 2 | 132 | 0.50 | 0.80 | 29 | empty |
| 3 | 108 | 0.40 | 0.76 | 24 | empty |
| 4 | 63 | 0.31 | 0.75 | 15 | empty |
| 5 | 52 | 0.27 | 0.74 | 16 | empty |
Compared structures
- 2D0E · Substrate assited in Oxygen Activation in Cytochrome P450 158A2 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9FCA6 · AlphaFold monomer V2.0 prediction for biflaviolin synthase CYP158A2 (Q9FCA6) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9FCA6
- Elsewhere: RCSB PDB 2D0E · PDBe 2D0E · UniProt Q9FCA6
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