MolNFT v2 · #105858 · protein
Crystal structure of 3-Dehydroquinate dehydratase from Acinetobacter baumannii at 2.68 A resolution
4RHC: “Crystal structure of 3-Dehydroquinate dehydratase from Acinetobacter baumannii at 2.68 A resolution”. X-ray diffraction at 2.68, 20 pockets (best druggability 0.70). MolNFT v2 #105858 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4RHC
- Type
- protein
- Length
- 1,749 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.68
- Source
- Acinetobacter baumannii
- Molecule
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- UniProt
- A3M692
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · resolution 2.68 · 3 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 150 | 45% helix, 19% strand | A3M692 |
| C, D, E, G, H, I, J, K, L | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 145 | 46% helix, 15% strand | A3M692 |
| F | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 144 | 49% helix, 17% strand | A3M692 |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.70 | 0.82 | 26 | empty |
| 2 | 173 | 0.69 | 0.88 | 37 | empty |
| 3 | 313 | 0.69 | 0.83 | 29 | empty |
| 4 | 321 | 0.68 | 0.82 | 26 | empty |
| 5 | 348 | 0.68 | 0.82 | 29 | empty |
Interfaces
18 interfaces between chains.
- B–K · 887 Ų buried · 13 hydrogen bonds · protein-protein
- E–H · 882 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 870 Ų buried · 10 hydrogen bonds · protein-protein
- G–J · 859 Ų buried · 12 hydrogen bonds · protein-protein
- I–L · 848 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4RHC · Crystal structure of 3-dehydroquinate dehydratase from acinetobacter baumannii at 2.68 a… · 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 4RHC · PDBe 4RHC · UniProt A3M692
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