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Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from lactobacillus delbrueckii ssp. bulgaricus

Analyse Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2YQ4
Type
protein
Length
1,308 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-isomer specific 2-hydroxyacid dehydrogenase
UniProt
Q1GAA2
Pockets
14 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD-isomer specific 2-hydroxyacid dehydrogenaseprotein32840% helix, 17% strandQ1GAA2
BD-isomer specific 2-hydroxyacid dehydrogenaseprotein32839% helix, 17% strandQ1GAA2
CD-isomer specific 2-hydroxyacid dehydrogenaseprotein33141% helix, 16% strandQ1GAA2
DD-isomer specific 2-hydroxyacid dehydrogenaseprotein32140% helix, 16% strandQ1GAA2

Pockets

14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17160.720.7876empty
27850.710.7756empty
37070.700.7756empty
46830.680.7661empty
53340.680.8244empty

Interfaces

6 interfaces between chains.

  • A–B · 2838 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 2792 Ų buried · 38 hydrogen bonds · protein-protein
  • A–D · 626 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 599 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 239 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2YQ4 · Crystal Structure of D-isomer specific 2-hydroxyacid dehydrogenase from Lactobacillus… · the same entry in another collection · chain D against D, TM-score 1.00

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