MolNFT v1 · #107376 · protein
Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol- isomerase complexed with a tartrate
4U8F · Putative uncharacterized protein GBS1892: “Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol- isomerase complexed with a tartrate”. X-ray diffraction, 5 pockets (best druggability 0.53). MolNFT v1 #107376 on GenesisL1…
- PDB
- 4U8F
- Type
- protein
- Length
- 425 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein GBS1892
- UniProt
- Q8E369
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein GBS1892 | protein | 213 | 55% helix, 11% strand | Q8E369 |
| B | Putative uncharacterized protein GBS1892 | protein | 212 | 53% helix, 11% strand | Q8E369 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.53 | 0.81 | 23 | TLA |
| 2 | 118 | 0.53 | 0.81 | 36 | empty |
| 3 | 99 | 0.51 | 0.82 | 21 | TLA |
| 4 | 83 | 0.33 | 0.74 | 23 | empty |
| 5 | 71 | 0.31 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1854 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4U8F · Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase complexed with… · 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 Q8E369
- Elsewhere: RCSB PDB 4U8F · PDBe 4U8F · UniProt Q8E369
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