Research workbench
Crystal structure of phosphoglycerate kinase from bacillus anthracis
Analyse Crystal structure of phosphoglycerate kinase from bacillus anthracis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UWD
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglycerate kinase
- EC
- 2.7.2.3
- UniProt
- Q81X75
- Ligands
- UNL, MG, CL
- Pockets
- 3 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglycerate kinase (EC 2.7.2.3) | protein | 392 | 42% helix, 16% strand | Q81X75 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 5 copies · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.45 | 0.76 | 31 | empty |
| 2 | 60 | 0.41 | 0.81 | 19 | CL |
| 3 | 52 | 0.26 | 0.73 | 12 | empty |
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3UWD · Crystal Structure of Phosphoglycerate Kinase from Bacillus Anthracis · the same entry in another collection · chain A against A, TM-score 1.00
- Q81X75 · AlphaFold monomer V2.0 prediction for phosphoglycerate kinase (Q81X75) · a predicted model of the same protein · 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 Q81X75
- Elsewhere: RCSB PDB 3UWD · PDBe 3UWD · UniProt Q81X75
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