MolNFT v1 · #40195 · protein
Acetate kinase from a hypothermophile thermotoga maritima
2IIR: “Acetate kinase from a hypothermophile thermotoga maritima”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #40195 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2IIR
- Type
- protein
- Length
- 4,000 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate kinase
- EC
- 2.7.2.1
- UniProt
- Q9WYB1
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Acetate kinase (EC 2.7.2.1) | protein | 400 | 41% helix, 21% strand | Q9WYB1 |
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 | 220 | 0.84 | 0.97 | 39 | empty |
| 2 | 229 | 0.83 | 0.96 | 42 | empty |
| 3 | 217 | 0.83 | 0.96 | 41 | empty |
| 4 | 197 | 0.83 | 0.97 | 39 | empty |
| 5 | 208 | 0.82 | 0.96 | 39 | empty |
Interfaces
16 interfaces between chains.
- G–H · 3315 Ų buried · 37 hydrogen bonds · protein-protein
- I–J · 3309 Ų buried · 35 hydrogen bonds · protein-protein
- E–F · 3281 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 3272 Ų buried · 34 hydrogen bonds · protein-protein
- A–B · 3242 Ų buried · 31 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 Q9WYB1
- Elsewhere: RCSB PDB 2IIR · PDBe 2IIR · UniProt Q9WYB1
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