Research workbench
Crystal structure of a bacillus anthracis peptidoglycan deacetylase
Analyse Crystal structure of a bacillus anthracis peptidoglycan deacetylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GO1
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polysaccharide deacetylase-like protein
- UniProt
- A0A0F7RJX5
- Ligands
- ZN, SO4
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polysaccharide deacetylase-like protein | protein | 318 | 29% helix, 28% strand | A0A0F7RJX5 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.62 | 0.83 | 31 | ACT |
| 2 | 109 | 0.39 | 0.76 | 18 | empty |
| 3 | 94 | 0.36 | 0.75 | 14 | empty |
| 4 | 56 | 0.30 | 0.76 | 18 | ACT, EDO |
| 5 | 62 | 0.30 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 521 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6GO1 · Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase · 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 A0A0F7RJX5
- Elsewhere: RCSB PDB 6GO1 · PDBe 6GO1 · UniProt A0A0F7RJX5
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