Research workbench
A role for active site water molecules and hydroxyl groups of substrate for oxygen activation in cytochrome P450 158A2
Analyse A role for active site water molecules and hydroxyl groups of substrate for… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2D09
- 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
- FLV, HEM, OXY
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 (EC 1.14.-.-) | protein | 404 | 48% helix, 10% strand | Q9FCA6 |
Ligands and binding sites
- FLV · Flaviolin · ligand · 2 copies · chains A
- HEM · Protoporphyrin IX containing Fe · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 702 | 0.87 | 0.90 | 63 | HEM, FLV, OXY |
| 2 | 105 | 0.38 | 0.75 | 21 | empty |
Compared structures
- 2D09 · A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen… · 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 0.94
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 2D09 · PDBe 2D09 · UniProt Q9FCA6
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