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Crystal structure of carboxyvinyl-carboxyphosphonate phosphorylmutase from bacillus anthracis str. ames ancestor
Analyse Crystal structure of carboxyvinyl-carboxyphosphonate phosphorylmutase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IQE
- Type
- protein
- Length
- 577 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxyvinyl-carboxyphosphonate phosphorylmutase
- EC
- 4.1.3.30
- UniProt
- Q81QR8
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxyvinyl-carboxyphosphonate phosphorylmutase (EC 4.1.3.30) | protein | 289 | 51% helix, 13% strand | Q81QR8 |
| B | Carboxyvinyl-carboxyphosphonate phosphorylmutase (EC 4.1.3.30) | protein | 288 | 52% helix, 13% strand | Q81QR8 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 887 | 0.76 | 0.79 | 66 | empty |
| 2 | 624 | 0.72 | 0.79 | 50 | empty |
| 3 | 225 | 0.53 | 0.77 | 36 | empty |
| 4 | 95 | 0.44 | 0.79 | 20 | empty |
| 5 | 60 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3404 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4IQE · Crystal Structure of Carboxyvinyl-Carboxyphosphonate Phosphorylmutase from Bacillus… · 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 Q81QR8
- Elsewhere: RCSB PDB 4IQE · PDBe 4IQE · UniProt Q81QR8
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