MolNFT v1 · #158316 · protein
Crystal structure of yetj mutant from bacillus subtilis - D171E
6NQ8 · Uncharacterized protein yetj: “Crystal structure of yetj mutant from bacillus subtilis - D171E”. X-ray diffraction, 13 pockets (best druggability 0.76). MolNFT v1 #158316 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NQ8
- Type
- protein
- Length
- 821 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein yetj
- UniProt
- O31539
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein yetj | protein | 208 | 83% helix, 0% strand | O31539 |
| B | Uncharacterized protein yetj | protein | 202 | 85% helix, 0% strand | O31539 |
| C | Uncharacterized protein yetj | protein | 205 | 83% helix, 0% strand | O31539 |
| D | Uncharacterized protein yetj | protein | 206 | 83% helix, 0% strand | O31539 |
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.76 | 0.82 | 62 | empty |
| 2 | 746 | 0.73 | 0.78 | 52 | empty |
| 3 | 303 | 0.72 | 0.84 | 23 | empty |
| 4 | 882 | 0.71 | 0.75 | 58 | empty |
| 5 | 813 | 0.70 | 0.75 | 52 | empty |
Interfaces
5 interfaces between chains.
- B–D · 952 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 903 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 445 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 431 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6NQ8 · Crystal structure of YetJ mutant from Bacillus Subtilis - D171E · the same entry in another collection · chain D against D, TM-score 1.00
- O31539 · AlphaFold monomer V2.0 prediction for uncharacterized protein yetj (O31539) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 O31539
- Elsewhere: RCSB PDB 6NQ8 · PDBe 6NQ8 · UniProt O31539
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