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Crystal structure of type II dehydroquinate dehydratase from acinetobacter baumannii with a different crystal form at 2.52 a resolution
Analyse Crystal structure of type II dehydroquinate dehydratase from acinetobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZC1
- Type
- protein
- Length
- 1,752 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 0.72
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% 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 | 146 | 45% helix, 16% 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 | 58 | 0.72 | 0.98 | 22 | empty |
| 2 | 360 | 0.71 | 0.83 | 32 | empty |
| 3 | 430 | 0.71 | 0.82 | 30 | empty |
| 4 | 318 | 0.70 | 0.84 | 27 | empty |
| 5 | 407 | 0.70 | 0.82 | 38 | empty |
Interfaces
18 interfaces between chains.
- G–I · 900 Ų buried · 13 hydrogen bonds · protein-protein
- K–L · 890 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 865 Ų buried · 12 hydrogen bonds · protein-protein
- C–F · 864 Ų buried · 11 hydrogen bonds · protein-protein
- B–J · 861 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4ZC1 · Crystal Structure of type II Dehydroquinate dehydratase from Acinetobacter baumannii with… · 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 4ZC1 · PDBe 4ZC1 · UniProt A3M692
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