Research workbench
Structure of the mycobacterium tuberculosis type II dehydroquinase N12S mutant (crystal form 1)
Analyse Structure of the mycobacterium tuberculosis type II dehydroquinase N12S mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CKW
- Type
- protein
- Length
- 464 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-dehydroquinate dehydratase
- EC
- 4.2.1.10
- UniProt
- P0A4Z6
- Pockets
- 6 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 115 | 38% helix, 22% strand | P0A4Z6 |
| B | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 116 | 40% helix, 22% strand | P0A4Z6 |
| C | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 115 | 43% helix, 22% strand | P0A4Z6 |
| D | 3-dehydroquinate dehydratase (EC 4.2.1.10) | protein | 118 | 42% helix, 21% strand | P0A4Z6 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.58 | 0.74 | 38 | empty |
| 2 | 131 | 0.41 | 0.75 | 34 | empty |
| 3 | 53 | 0.39 | 0.81 | 14 | empty |
| 4 | 100 | 0.35 | 0.74 | 22 | empty |
| 5 | 58 | 0.28 | 0.74 | 14 | empty |
Interfaces
5 interfaces between chains.
- B–D · 749 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 678 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 659 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 161 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 85 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4CKW · Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal… · 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 4CKW · PDBe 4CKW · UniProt P0A4Z6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.