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Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with NADP, hepes and L(+)-tartaric acid

Analyse Probable 2-hydroxyacid dehydrogenase from rhizobium etli cfn 42 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BQF
Type
protein
Length
317 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADP-dependent 2-hydroxyacid dehydrogenase
UniProt
Q2KDT2
Ligands
NAP, NA, CL
Pockets
2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANADP-dependent 2-hydroxyacid dehydrogenaseprotein31734% helix, 16% strandQ2KDT2

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • TLA · L(+)-tartaric acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16560.770.8367EPE, NAP, TLA
2970.410.7720empty

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