MolNFT v1 · #89473 · protein
Crystal structure of acetate kinase acka from mycobacterium marinum
4DQ8: “Crystal structure of acetate kinase acka from mycobacterium marinum”. X-ray diffraction, 10 pockets (best druggability 0.72). MolNFT v1 #89473 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4DQ8
- Type
- protein
- Length
- 744 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate kinase
- EC
- 2.7.2.1
- UniProt
- B2HPZ3
- Pockets
- 10 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetate kinase (EC 2.7.2.1) | protein | 373 | 45% helix, 18% strand | B2HPZ3 |
| B | Acetate kinase (EC 2.7.2.1) | protein | 371 | 43% helix, 19% strand | B2HPZ3 |
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.72 | 0.98 | 15 | empty |
| 2 | 460 | 0.67 | 0.79 | 58 | empty |
| 3 | 440 | 0.66 | 0.79 | 52 | empty |
| 4 | 144 | 0.45 | 0.76 | 27 | empty |
| 5 | 56 | 0.42 | 0.82 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 3269 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
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 B2HPZ3
- Elsewhere: RCSB PDB 4DQ8 · PDBe 4DQ8 · UniProt B2HPZ3
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