MolNFT v1 · #68782 · protein
Crystal structure of protein NE0167 from nitrosomonas europaea
3K6C · Uncharacterized protein NE0167: “Crystal structure of protein NE0167 from nitrosomonas europaea”. X-ray diffraction, 13 pockets (best druggability 0.72). MolNFT v1 #68782 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3K6C
- Type
- protein
- Length
- 909 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein NE0167
- UniProt
- Q82XT5
- Pockets
- 13 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, F, H, I | Uncharacterized protein NE0167 | protein | 91 | 76% helix, 0% strand | Q82XT5 |
| B, J | Uncharacterized protein NE0167 | protein | 90 | 78% helix, 0% strand | Q82XT5 |
| D | Uncharacterized protein NE0167 | protein | 92 | 76% helix, 0% strand | Q82XT5 |
| G | Uncharacterized protein NE0167 | protein | 91 | 76% helix, 0% strand | Q82XT5 |
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.72 | 0.82 | 63 | empty |
| 2 | 371 | 0.70 | 0.82 | 60 | empty |
| 3 | 841 | 0.68 | 0.75 | 41 | empty |
| 4 | 515 | 0.60 | 0.74 | 33 | empty |
| 5 | 212 | 0.58 | 0.81 | 32 | empty |
Interfaces
20 interfaces between chains.
- I–J · 2499 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2494 Ų buried · 51 hydrogen bonds · protein-protein
- G–H · 2482 Ų buried · 38 hydrogen bonds · protein-protein
- E–F · 2471 Ų buried · 44 hydrogen bonds · protein-protein
- C–D · 2469 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 3K6C · Crystal structure of protein ne0167 from nitrosomonas europaea · 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 Q82XT5
- Elsewhere: RCSB PDB 3K6C · PDBe 3K6C · UniProt Q82XT5
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