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MolNFT v1 · #82715 · protein

Crystal structure of capsular polysaccharide synthesizing enzyme cape , K126E, in apo form

3VVC · Capsular polysaccharide synthesis enzyme CAP8E: “Crystal structure of capsular polysaccharide synthesizing enzyme cape , K126E, in apo form”. X-ray diffraction, 2 ligands (NAP, SO4), 4 pockets (best druggability 0.75). MolNFT v1…

PDB
3VVC
Type
protein
Length
318 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsular polysaccharide synthesis enzyme CAP8E
UniProt
Q7A2Y4
Ligands
NAP, SO4
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsular polysaccharide synthesis enzyme CAP8Eprotein31843% helix, 20% strandQ7A2Y4

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16830.750.8167NAP
21140.450.7819empty
31440.440.7620SO4
4650.370.7913empty

Compared structures

  • 3VVC · Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE , K126E, in apo form · the same entry in another collection · chain A against A, TM-score 1.00

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