MolNFT v1 · #179377 · protein
The structure of the udp-GLC/GLCNAC 4-epimerase from the human pathogen campylobacter jejuni
7K3P · Udp-glucose 4-epimerase: “The structure of the udp-GLC/GLCNAC 4-epimerase from the human pathogen campylobacter jejuni”. X-ray diffraction, 1 ligand (NAD), 6 pockets (best druggability 0.82). MolNFT v1 #179377 on GenesisL1: 3D…
- PDB
- 7K3P
- Type
- protein
- Length
- 658 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-glucose 4-epimerase
- EC
- 5.1.3.2
- UniProt
- Q0P9C3
- Ligands
- NAD
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-glucose 4-epimerase (EC 5.1.3.2) | protein | 329 | 42% helix, 17% strand | Q0P9C3 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
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 | 758 | 0.82 | 0.86 | 80 | NAD, GOL, ACT |
| 2 | 812 | 0.82 | 0.85 | 77 | NAD, GOL, ACT |
| 3 | 69 | 0.72 | 0.97 | 20 | GOL |
| 4 | 70 | 0.71 | 0.96 | 19 | empty |
| 5 | 81 | 0.35 | 0.75 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 978 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7K3P · The structure of the UDP-Glc/GlcNAc 4-epimerase from the human pathogen Campylobacter… · 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 Q0P9C3
- Elsewhere: RCSB PDB 7K3P · PDBe 7K3P · UniProt Q0P9C3
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