Research workbench
Cj1441 with NAD+ and UDP-glucose
Analyse Cj1441 with NAD+ and UDP-glucose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KWS
- Type
- protein
- Length
- 777 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.09
- Source
- Campylobacter jejuni subsp. jejuni serotype O:2 (strain ATCC 700819 / NCTC…
- Molecule
- UDP-glucose 6-dehydrogenase
- EC
- 1.1.1.22
- UniProt
- Q0P8H3
- Ligands
- UPG, NAD
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · resolution 2.09 · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UDP-glucose 6-dehydrogenase (EC 1.1.1.22) | protein | 390 | 45% helix, 14% strand | Q0P8H3 |
| B | UDP-glucose 6-dehydrogenase (EC 1.1.1.22) | protein | 387 | 43% helix, 14% strand | Q0P8H3 |
Ligands and binding sites
- UPG · Uridine-5'-diphosphate-glucose · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.81 | 0.84 | 78 | UPG, NAD |
| 2 | 804 | 0.80 | 0.83 | 71 | UPG, NAD |
| 3 | 101 | 0.57 | 0.86 | 25 | empty |
| 4 | 78 | 0.56 | 0.86 | 20 | empty |
| 5 | 98 | 0.55 | 0.85 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2636 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 7KWS · CJ1441 with NAD+ and udp-glucose · 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 Q0P8H3
- Elsewhere: RCSB PDB 7KWS · PDBe 7KWS · UniProt Q0P8H3
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