MolNFT v1 · #108310 · protein
Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis
4V33 · Polysaccharide deacetylase-like protein: “Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.69). MolNFT v1 #108310 on…
- PDB
- 4V33
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polysaccharide deacetylase-like protein
- UniProt
- Q81ZD9
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polysaccharide deacetylase-like protein | protein | 316 | 30% helix, 31% strand | Q81ZD9 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 570 | 0.69 | 0.78 | 53 | ACT |
| 2 | 96 | 0.41 | 0.78 | 19 | ACT |
| 3 | 92 | 0.40 | 0.77 | 18 | empty |
| 4 | 62 | 0.33 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 625 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 4V33 · Crystal structure of the putative polysaccharide deacetylase BA0330 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 Q81ZD9
- Elsewhere: RCSB PDB 4V33 · PDBe 4V33 · UniProt Q81ZD9
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