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Crystal structure of metal-free neub, an N-acetylneuraminate synthase from neisseria meningitidis in complex with malate

Analyse Crystal structure of metal-free neub, an N-acetylneuraminate synthase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PPX
Type
protein
Length
348 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-acetylneuraminate synthase
EC
2.5.1.56
UniProt
H2VFG5
Ligands
MLT
Pockets
1 · best druggability 0.66

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AN-acetylneuraminate synthase (EC 2.5.1.56)protein34840% helix, 19% strandH2VFG5

Ligands and binding sites

  • MLT · D-malate · ligand · 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
13140.660.8134MLT

Compared structures

  • 6PPX · Crystal structure of metal-free NeuB, an N-acetylneuraminate synthase from Neisseria… · the same entry in another collection · chain A against A, TM-score 1.00

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