Research workbench
A131E mutant of cyt P460 of nitrosomonas sp. AL212 with no bound
Analyse A131E mutant of cyt P460 of nitrosomonas sp. AL212 with no bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6E17
- Type
- protein
- Length
- 630 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P460
- UniProt
- F9ZFJ0
- Ligands
- HEC, NO
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Cytochrome P460 | protein | 157 | 22% helix, 37% strand | F9ZFJ0 |
| B, C | Cytochrome P460 | protein | 158 | 22% helix, 36% strand | F9ZFJ0 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A, B, C, D
- NO · Nitric oxide · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.71 | 0.89 | 30 | HEC, NO |
| 2 | 158 | 0.69 | 0.88 | 29 | HEC, NO |
| 3 | 167 | 0.59 | 0.82 | 26 | HEC, NO |
| 4 | 159 | 0.56 | 0.81 | 27 | HEC, NO |
| 5 | 61 | 0.29 | 0.74 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1667 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 61 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 28 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 19 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 cofactor (heme c attachment).
Compared structures
- 6E17 · A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound · 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 6E17 · PDBe 6E17 · UniProt F9ZFJ0
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