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The crystal structure of ump kinase from bacillus anthracis (BA1797)
Analyse The crystal structure of ump kinase from bacillus anthracis (BA1797) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2JJX
- Type
- protein
- Length
- 732 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uridylate kinase
- EC
- 2.7.4.22
- UniProt
- Q81S73
- Ligands
- ATP, MG
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Uridylate kinase (EC 2.7.4.22) | protein | 244 | 38% helix, 19% strand | Q81S73 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 898 | 0.70 | 0.75 | 51 | ATP, MG |
| 2 | 239 | 0.59 | 0.80 | 38 | empty |
| 3 | 219 | 0.59 | 0.80 | 32 | empty |
| 4 | 232 | 0.58 | 0.79 | 37 | empty |
| 5 | 55 | 0.29 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 96 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 83 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 82 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2JJX · The crystal structure of ump kinase from bacillus anthracis (BA1797) · 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 Q81S73
- Elsewhere: RCSB PDB 2JJX · PDBe 2JJX · UniProt Q81S73
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