Research workbench
Cytochrome P450 txtc employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation
Analyse Cytochrome P450 txtc employs substrate conformational switching for sequential… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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