MolNFT v1 · #88109 · protein
Structure of the mycobacterium tuberculosis type II dehydroquinase D88N mutant
4CKZ · 3-dehydroquinate dehydratase: “Structure of the mycobacterium tuberculosis type II dehydroquinase D88N mutant”. X-ray diffraction, 1 pocket (best druggability 0.46). MolNFT v1 #88109 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4CKZ
- Type
- protein
- Length
- 256 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- UniProt
- P0A4Z6
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 126 | 40% helix, 20% strand | P0A4Z6 |
| B | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 130 | 42% helix, 19% strand | P0A4Z6 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.46 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 943 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4CKZ · Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant · 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 P0A4Z6
- Elsewhere: RCSB PDB 4CKZ · PDBe 4CKZ · UniProt P0A4Z6
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