MolNFT v1 · #148219 · protein
Cytochrome P450 txtc employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
6F0C · Cytochrome P450 monooxygenase: “Cytochrome P450 txtc employs substrate conformational switching for sequential aliphatic and aromatic…”. X-ray diffraction, 3 ligands (HEM, C8B, OXY), 6 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 6F0C
- Type
- protein
- Length
- 383 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 monooxygenase
- UniProt
- Q8VS75
- Ligands
- HEM, C8B, OXY
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 monooxygenase | protein | 383 | 50% helix, 10% strand | Q8VS75 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- C8B · (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione · ligand · chains A
- OXY · Oxygen molecule · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.87 | 0.91 | 59 | HEM, C8B, OXY |
| 2 | 88 | 0.45 | 0.80 | 15 | empty |
| 3 | 136 | 0.42 | 0.75 | 25 | empty |
| 4 | 65 | 0.42 | 0.81 | 23 | empty |
| 5 | 74 | 0.32 | 0.74 | 17 | empty |
Compared structures
- 6F0C · Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic… · 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 Q8VS75
- Elsewhere: RCSB PDB 6F0C · PDBe 6F0C · UniProt Q8VS75
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