MolNFT v1 · #104998 · protein
Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from bacteroides uniformis atcc 8492 at 2.20 a resolution
4QRJ: “Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from bacteroides uniformis atcc 8492…”. X-ray diffraction, 6 pockets (best druggability 0.68). MolNFT v1 #104998 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4QRJ
- Type
- protein
- Length
- 688 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative 6-phosphogluconolactonase
- UniProt
- A7VAP0
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative 6-phosphogluconolactonase | protein | 345 | 0% helix, 52% strand | A7VAP0 |
| B | Putative 6-phosphogluconolactonase | protein | 343 | 0% helix, 52% strand | A7VAP0 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 590 | 0.68 | 0.77 | 43 | empty |
| 2 | 536 | 0.67 | 0.77 | 39 | empty |
| 3 | 392 | 0.64 | 0.78 | 62 | PEG |
| 4 | 110 | 0.37 | 0.74 | 26 | empty |
| 5 | 54 | 0.29 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 466 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 4QRJ · Crystal structure of a putative 6-phosphogluconolactonase (BACUNI_04672) from Bacteroides… · 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 A7VAP0
- Elsewhere: RCSB PDB 4QRJ · PDBe 4QRJ · UniProt A7VAP0
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