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Crystal structure of a bacterial phosphoglucomutase, an enzyme important in the virulence of several human pathogens.
Analyse Crystal structure of a bacterial phosphoglucomutase, an enzyme important in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NA5
- Type
- protein
- Length
- 1,090 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglucomutase
- EC
- 5.4.2.2
- UniProt
- Q8ZQW9
- Ligands
- MG
- Pockets
- 7 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoglucomutase (EC 5.4.2.2) | protein | 545 | 38% helix, 20% strand | Q8ZQW9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 367 | 0.63 | 0.78 | 56 | empty |
| 2 | 279 | 0.52 | 0.75 | 38 | empty |
| 3 | 187 | 0.51 | 0.77 | 32 | empty |
| 4 | 74 | 0.39 | 0.78 | 16 | empty |
| 5 | 84 | 0.38 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1107 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 3NA5 · Crystal structure of a bacterial phosphoglucomutase, an enzyme important in the virulence… · 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 Q8ZQW9
- Elsewhere: RCSB PDB 3NA5 · PDBe 3NA5 · UniProt Q8ZQW9
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