MolNFT v1 · #87098 · protein
Structural insights into wcbi, a novel polysaccharide biosynthesis enzyme. native protein without disulfide bond between CoA and CYS14.
4BQO · Putative capsular polysaccharide biosynthesis protein: “Structural insights into wcbi, a novel polysaccharide biosynthesis enzyme. native protein without disulfide…”. X-ray diffraction, 2 ligands (COA, BR), 2 pockets (best…
- PDB
- 4BQO
- Type
- protein
- Length
- 617 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative capsular polysaccharide biosynthesis protein
- UniProt
- Q63R74
- Ligands
- COA, BR
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative capsular polysaccharide biosynthesis protein | protein | 308 | 48% helix, 11% strand | Q63R74 |
| B | Putative capsular polysaccharide biosynthesis protein | protein | 309 | 49% helix, 11% strand | Q63R74 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- BR · Bromide ion · ion · 38 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 938 | 0.73 | 0.77 | 95 | COA, BR |
| 2 | 332 | 0.59 | 0.76 | 37 | COA, BR |
Interfaces
1 interface between chains.
- A–B · 352 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4BQO · 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 4BQO · PDBe 4BQO · UniProt Q63R74
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