MolNFT v2 · #211953 · protein
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with 12-hydroxydodecanoic acid
8HGE · Cytochrome P450: “Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei in complex with…”. X-ray diffraction at 1.53, 2 ligands (HEM, 12H), 4 pockets (best druggability 0.86). MolNFT v2 #211953 on GenesisL1: 3D…
- PDB
- 8HGE
- Type
- protein
- Length
- 424 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.53
- Source
- Marinobacter nauticus
- Molecule
- Cytochrome P450
- UniProt
- A0A368UNN3
- Ligands
- HEM, 12H
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.53 · 1 distinct chain · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Cytochrome P450 | protein | 424 | 50% helix, 11% strand | A0A368UNN3 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains B
- 12H · 12-hydroxydodecanoic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.86 | 0.92 | 74 | HEM, 12H |
| 2 | 119 | 0.56 | 0.84 | 23 | empty |
| 3 | 56 | 0.37 | 0.80 | 15 | empty |
| 4 | 76 | 0.32 | 0.74 | 19 | empty |
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 A0A368UNN3
- Elsewhere: RCSB PDB 8HGE · PDBe 8HGE · UniProt A0A368UNN3
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