Research workbench
Acetate kinase crystallized with atpgs
Analyse Acetate kinase crystallized with atpgs in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TUU
- Type
- protein
- Length
- 797 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetate kinase
- EC
- 2.7.2.1
- UniProt
- P38502
- Ligands
- ADP, AMP, PIS, SO4, NH4
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetate kinase (EC 2.7.2.1) | protein | 399 | 42% helix, 20% strand | P38502 |
| B | Acetate kinase (EC 2.7.2.1) | protein | 398 | 38% helix, 20% strand | P38502 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- AMP · Adenosine monophosphate · ligand · chains B
- PIS · Trihydrogen thiodiphosphate · ligand · chains B
- SO4 · Sulfate ion · ion · chains A
- NH4 · Ammonium ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 177 | 0.82 | 0.97 | 41 | empty |
| 2 | 503 | 0.64 | 0.77 | 51 | SO4, ADP |
| 3 | 219 | 0.53 | 0.77 | 26 | NH4, PIS |
| 4 | 87 | 0.48 | 0.82 | 23 | empty |
| 5 | 113 | 0.47 | 0.79 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 3149 Ų buried · 35 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 P38502
- Elsewhere: RCSB PDB 1TUU · PDBe 1TUU · UniProt P38502
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