MolNFT v1 · #24071 · protein
Crystal structure of dehydroquinate synthase from thermus thermophilus HB8
1UJN: “Crystal structure of dehydroquinate synthase from thermus thermophilus HB8”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #24071 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UJN
- Type
- protein
- Length
- 674 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dehydroquinate synthase
- EC
- 4.2.3.4
- UniProt
- P83703
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dehydroquinate synthase (EC 4.2.3.4) | protein | 338 | 50% helix, 19% strand | P83703 |
| B | Dehydroquinate synthase (EC 4.2.3.4) | protein | 336 | 49% helix, 20% strand | P83703 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 697 | 0.70 | 0.78 | 67 | empty |
| 2 | 647 | 0.67 | 0.76 | 52 | empty |
| 3 | 97 | 0.35 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1013 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1UJN · Crystal structure of dehydroquinate synthase from Thermus thermophilus HB8 · 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 P83703
- Elsewhere: RCSB PDB 1UJN · PDBe 1UJN · UniProt P83703
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