MolNFT v1 · #139079 · protein
Crystal structure of dehydroquinate dehydratase from acinetobacter baumannii at 2.5 ångström resolution
5X47 · 3-dehydroquinate dehydratase: “Crystal structure of dehydroquinate dehydratase from acinetobacter baumannii at 2.5 ångström resolution”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #139079 on GenesisL1: 3D…
- PDB
- 5X47
- Type
- protein
- Length
- 1,740 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- UniProt
- A3M692
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 145 | 46% helix, 17% strand | A3M692 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.71 | 0.95 | 28 | empty |
| 2 | 356 | 0.71 | 0.83 | 34 | empty |
| 3 | 302 | 0.70 | 0.84 | 27 | empty |
| 4 | 471 | 0.68 | 0.79 | 38 | empty |
| 5 | 414 | 0.68 | 0.80 | 35 | empty |
Interfaces
18 interfaces between chains.
- G–J · 881 Ų buried · 12 hydrogen bonds · protein-protein
- E–H · 880 Ų buried · 14 hydrogen bonds · protein-protein
- B–K · 871 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 869 Ų buried · 13 hydrogen bonds · protein-protein
- C–F · 846 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5X47 · Crystal structure of dehydroquinate dehydratase from Acinetobacter baumannii at 2.5… · the same entry in another collection · chain L against L, 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 A3M692
- Elsewhere: RCSB PDB 5X47 · PDBe 5X47 · UniProt A3M692
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