MolNFT v1 · #68525 · protein
Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and NADH
3JYQ · QUINATE/SHIKIMATE dehydrogenase: “Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and NADH”. X-ray diffraction, 2 ligands (NAD, SKM), 2 pockets (best druggability 0.69). MolNFT v1 #68525 on GenesisL1…
- PDB
- 3JYQ
- Type
- protein
- Length
- 282 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- QUINATE/SHIKIMATE dehydrogenase
- EC
- 1.1.1.24, 1.1.1.-
- UniProt
- Q9X5C9
- Ligands
- NAD, SKM
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | QUINATE/SHIKIMATE dehydrogenase (EC 1.1.1.24, 1.1.1.-) | protein | 282 | 41% helix, 19% strand | Q9X5C9 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- SKM · (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.69 | 0.78 | 49 | NAD, SKM |
| 2 | 50 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 3JYQ · Quinate dehydrogenase from Corynebacterium glutamicum in complex with shikimate and NADH · the same entry in another collection · chain A against A, TM-score 1.00
- Q9X5C9 · AlphaFold monomer V2.0 prediction for QUINATE/SHIKIMATE dehydrogenase (NAD(+)) (Q9X5C9) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9X5C9
- Elsewhere: RCSB PDB 3JYQ · PDBe 3JYQ · UniProt Q9X5C9
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