MolNFT v1 · #74699 · protein
Crystal structure of acetate kinase from mycobacterium avium
3P4I: “Crystal structure of acetate kinase from mycobacterium avium”. X-ray diffraction, 11 pockets (best druggability 0.75). MolNFT v1 #74699 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3P4I
- Type
- protein
- Length
- 760 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate kinase
- EC
- 2.7.2.1
- UniProt
- A0QLU8
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetate kinase (EC 2.7.2.1) | protein | 379 | 41% helix, 18% strand | A0QLU8 |
| B | Acetate kinase (EC 2.7.2.1) | protein | 381 | 41% helix, 18% strand | A0QLU8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.75 | 0.96 | 27 | empty |
| 2 | 588 | 0.70 | 0.79 | 57 | empty |
| 3 | 336 | 0.58 | 0.77 | 35 | empty |
| 4 | 221 | 0.58 | 0.79 | 26 | empty |
| 5 | 166 | 0.54 | 0.79 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 3207 Ų buried · 27 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 A0QLU8
- Elsewhere: RCSB PDB 3P4I · PDBe 3P4I · UniProt A0QLU8
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