Research workbench
Crystal structure of phosphoglycerate mutase from bacillus anthracis str. sterne
Analyse Crystal structure of phosphoglycerate mutase from bacillus anthracis str. sterne in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R7A
- Type
- protein
- Length
- 455 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglycerate mutase, putative
- UniProt
- Q81YJ8
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglycerate mutase, putative | protein | 227 | 48% helix, 18% strand | Q81YJ8 |
| B | Phosphoglycerate mutase, putative | protein | 228 | 49% helix, 17% strand | Q81YJ8 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.78 | 0.80 | 74 | EPE |
| 2 | 274 | 0.59 | 0.78 | 35 | EPE |
| 3 | 81 | 0.41 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 633 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3R7A · Crystal structure of phosphoglycerate mutase from Bacillus anthracis str. Sterne · 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 Q81YJ8
- Elsewhere: RCSB PDB 3R7A · PDBe 3R7A · UniProt Q81YJ8
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