MolNFT v1 · #127969 · protein
Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with guaiacol.
5NCB: “Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with guaiacol.”. X-ray diffraction, 2 ligands (HEM, JZ3), 3 pockets (best druggability 0.86). MolNFT v1 #127969 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5NCB
- Type
- protein
- Length
- 403 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- UniProt
- A0A076MY51
- Ligands
- HEM, JZ3
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 403 | 56% helix, 10% strand | A0A076MY51 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.86 | 0.95 | 40 | HEM, JZ3 |
| 2 | 95 | 0.40 | 0.77 | 17 | empty |
| 3 | 60 | 0.34 | 0.77 | 22 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 5NCB · Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. · 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 A0A076MY51
- Elsewhere: RCSB PDB 5NCB · PDBe 5NCB · UniProt A0A076MY51
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