MolNFT v1 · #61097 · protein
Crystal structure of cytochrome P450 170A1 (CYP170A1) from streptomyces coelicolor
3DBG · Putative cytochrome P450: “Crystal structure of cytochrome P450 170A1 (CYP170A1) from streptomyces coelicolor”. X-ray diffraction, 1 ligand (HEM), 10 pockets (best druggability 0.71). MolNFT v1 #61097 on GenesisL1: 3D structure…
- PDB
- 3DBG
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450
- UniProt
- Q9K498
- Ligands
- HEM
- Pockets
- 10 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative cytochrome P450 | protein | 379 | 52% helix, 14% strand | Q9K498 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.71 | 0.96 | 18 | empty |
| 2 | 527 | 0.70 | 0.80 | 62 | HEM |
| 3 | 58 | 0.69 | 0.96 | 18 | empty |
| 4 | 545 | 0.69 | 0.78 | 61 | HEM |
| 5 | 335 | 0.57 | 0.75 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 571 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3DBG · Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9K498 · AlphaFold monomer V2.0 prediction for epi-isozizaene 5-MONOOXYGENASE/(E)-beta-farnesene… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9K498
- Elsewhere: RCSB PDB 3DBG · PDBe 3DBG · UniProt Q9K498
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