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Structure of vibrio cholerae broad spectrum racemase

Analyse Structure of vibrio cholerae broad spectrum racemase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BEU
Type
protein
Length
392 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alanine racemase
EC
5.1.1.1
UniProt
D0H7Y0
Ligands
PLP, CL
Pockets
4 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlanine racemase (EC 5.1.1.1)protein39235% helix, 23% strandD0H7Y0

Ligands and binding sites

  • PLP · Pyridoxal-5'-phosphate · ligand · chains A
  • CL · Chloride ion · ion · 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
12370.630.8245CL, PLP
2890.420.7926empty
3570.410.8118empty
41090.370.7431empty

Modifications

Observed in the structure: 1 cofactor, 1 disulfide (pyridoxal phosphate Schiff base, disulfide).

Compared structures

  • 4BEU · Structure of Vibrio cholerae broad spectrum racemase · the same entry in another collection · chain A against A, TM-score 1.00

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