MolNFT v1 · #87097 · protein
Structural insights into wcbi, a novel polysaccharide biosynthesis enzyme. native protein.
4BQN · Capsular polysaccharide biosynthesis protein: “Structural insights into wcbi, a novel polysaccharide biosynthesis enzyme. native protein.”. X-ray diffraction, 2 ligands (COA, CL), 3 pockets (best druggability 0.72). MolNFT v1 #87097…
- PDB
- 4BQN
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Capsular polysaccharide biosynthesis protein
- UniProt
- Q63R74
- Ligands
- COA, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Capsular polysaccharide biosynthesis protein | protein | 311 | 48% helix, 11% strand | Q63R74 |
| B | Capsular polysaccharide biosynthesis protein | protein | 309 | 49% helix, 11% strand | Q63R74 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- PGE · Triethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.72 | 0.77 | 91 | COA |
| 2 | 864 | 0.70 | 0.75 | 68 | COA |
| 3 | 61 | 0.35 | 0.78 | 15 | CL |
Interfaces
1 interface between chains.
- A–B · 555 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4BQN · Structural insights into WcbI, a novel polysaccharide biosynthesis enzyme. Native protein. · 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 Q63R74
- Elsewhere: RCSB PDB 4BQN · PDBe 4BQN · UniProt Q63R74
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