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MolNFT v1 · #27808 · protein

Crystal structure of sialic acid synthase (neub) in complex with MN2+ and malate from neisseria meningitidis

1XUU · Polysialic acid capsule biosynthesis protein siac: “Crystal structure of sialic acid synthase (neub) in complex with MN2+ and malate from neisseria meningitidis”. X-ray diffraction, 2 ligands (MLT, MN), 1 pocket (best druggability…

PDB
1XUU
Type
protein
Length
348 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polysialic acid capsule biosynthesis protein siac
UniProt
Q57265
Ligands
MLT, MN
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolysialic acid capsule biosynthesis protein siacprotein34840% helix, 19% strandQ57265

Ligands and binding sites

  • MLT · D-malate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.630.8032MLT

Compared structures

  • 1XUU · Crystal structure of sialic acid synthase (NeuB) in complex with Mn2+ and Malate from… · the same entry in another collection · chain A against A, TM-score 1.00

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