MolNFT v1 · #147054 · protein
A131Q mutant of cyt P460 of nitrosomonas sp. AL212 with bound NH2OH
6E0Y · Cytochrome P460: “A131Q mutant of cyt P460 of nitrosomonas sp. AL212 with bound NH2OH”. X-ray diffraction, 2 ligands (HEC, HOA), 8 pockets (best druggability 0.72). MolNFT v1 #147054 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6E0Y
- Type
- protein
- Length
- 640 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P460
- UniProt
- F9ZFJ0
- Ligands
- HEC, HOA
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Cytochrome P460 | protein | 161 | 22% helix, 35% strand | F9ZFJ0 |
| B, C | Cytochrome P460 | protein | 159 | 22% helix, 36% strand | F9ZFJ0 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A, B, C, D
- HOA · Hydroxyamine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.72 | 0.87 | 29 | HEC, HOA |
| 2 | 176 | 0.72 | 0.89 | 29 | HEC, HOA |
| 3 | 201 | 0.71 | 0.87 | 32 | HEC, HOA |
| 4 | 219 | 0.70 | 0.86 | 36 | HEC, HOA |
| 5 | 167 | 0.48 | 0.77 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1681 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1671 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 277 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 61 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 cofactor (heme c attachment).
Compared structures
- 6E0Y · A131Q mutant of cyt P460 of Nitrosomonas sp. AL212 with bound NH2OH · 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 F9ZFJ0
- Elsewhere: RCSB PDB 6E0Y · PDBe 6E0Y · UniProt F9ZFJ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.