Research workbench
CYP134A1 1-phenylimidazole bound structure
Analyse CYP134A1 1-phenylimidazole bound structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NC6
- Type
- protein
- Length
- 763 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 cypx
- EC
- 1.14.-.-
- UniProt
- O34926
- Ligands
- HEM, PIW, MG
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 cypx (EC 1.14.-.-) | protein | 374 | 53% helix, 10% strand | O34926 |
| B | Cytochrome P450 cypx (EC 1.14.-.-) | protein | 389 | 52% helix, 11% strand | O34926 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- PIW · 1-phenyl-1H-imidazole · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.82 | 0.83 | 78 | HEM, PIW |
| 2 | 1151 | 0.81 | 0.82 | 113 | HEM, PIW, MG |
| 3 | 373 | 0.60 | 0.77 | 45 | empty |
| 4 | 139 | 0.47 | 0.78 | 28 | empty |
| 5 | 139 | 0.44 | 0.76 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 792 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
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 O34926
- Elsewhere: RCSB PDB 3NC6 · PDBe 3NC6 · UniProt O34926
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