Research workbench
Structure of a possible glyoxalase from bacillus cereus
Analyse Structure of a possible glyoxalase from bacillus cereus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XQA
- Type
- protein
- Length
- 223 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLYOXALASE/BLEOMYCIN resistance protein
- UniProt
- Q81AI8
- Ligands
- MG
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GLYOXALASE/BLEOMYCIN resistance protein | protein | 112 | 22% helix, 38% strand | Q81AI8 |
| B | GLYOXALASE/BLEOMYCIN resistance protein | protein | 111 | 23% helix, 39% strand | Q81AI8 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- P6G · Hexaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.62 | 0.77 | 52 | P6G |
| 2 | 52 | 0.37 | 0.79 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 526 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1XQA · Structure of a possible Glyoxalase from Bacillus cereus · 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 Q81AI8
- Elsewhere: RCSB PDB 1XQA · PDBe 1XQA · UniProt Q81AI8
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