Structure of PDB 1dxy Chain A Binding Site BS02

Receptor Information
>1dxy Chain A (length=330) Species: 1582 (Lacticaseibacillus casei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIIAYGARVDEIQYFKQWAKDTGNTLEYHTEFLDENTVEWAKGFDGINS
LQTTPYAAGVFEKMHAYGIKFLTIRNVGTDNIDMTAMKQYGIRLSNVPAY
SPAAIAEFALTDTLYLLRNMGKVQAQLQAGDYEKAGTFIGKELGQQTVGV
MGTGHIGQVAIKLFKGFGAKVIAYDPYPMKGDHPDFDYVSLEDLFKQSDV
IDLHVPGIEQNTHIINEAAFNLMKPGAIVINTARPNLIDTQAMLSNLKSG
KLAGVGIDTYEYETEDLLNLAKHGSFKDPLWDELLGMPNVVLSPHIAYYT
ETAVHNMVYFSLQHLVDFLTKGETSTEVTG
Ligand information
Ligand IDCOI
InChIInChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBKAJNAXTPSGJCU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(C(=O)O)CC(C)C
OpenEye OEToolkits 1.7.6CC(C)CC(=O)C(=O)O
CACTVS 3.370CC(C)CC(=O)C(O)=O
FormulaC6 H10 O3
Name2-OXO-4-METHYLPENTANOIC ACID;
alpha-ketoisocaproic acid
ChEMBLCHEMBL445647
DrugBankDB03229
ZINCZINC000001532578
PDB chain1dxy Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1dxy Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		V77 Y100 Y298
Binding residue
(residue number reindexed from 1)		V77 Y100 Y298
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S101 R234 D258 E263 H295
Catalytic site (residue number reindexed from 1) S101 R234 D258 E263 H295
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0008720 D-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287 NAD binding
GO:0097256 phenyllactate dehydrogenase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:1dxy, PDBe:1dxy, PDBj:1dxy
PDBsum1dxy
PubMed9126843
UniProtP17584|DHD2_LACPA D-2-hydroxyisocaproate dehydrogenase

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