MolNFT v1 · #99364 · protein
Structural determination of BA0150, a polysaccharide deacetylase from bacillus anthracis
4M1B: “Structural determination of BA0150, a polysaccharide deacetylase from bacillus anthracis”. X-ray diffraction, 2 pockets (best druggability 0.59). MolNFT v1 #99364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4M1B
- Type
- protein
- Length
- 400 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polysaccharide deacetylase
- UniProt
- Q81VP2
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polysaccharide deacetylase | protein | 200 | 46% helix, 17% strand | Q81VP2 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · chains 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 | 243 | 0.59 | 0.80 | 28 | empty |
| 2 | 92 | 0.35 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 723 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4M1B · Structural Determination of BA0150, a Polysaccharide Deacetylase from Bacillus anthracis · 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 Q81VP2
- Elsewhere: RCSB PDB 4M1B · PDBe 4M1B · UniProt Q81VP2
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