Structure of PDB 5mh6 Chain A Binding Site BS05

Receptor Information
>5mh6 Chain A (length=306) Species: 523841 (Haloferax mediterranei ATCC 33500) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IERLAVDESVGRAMPPQRFIEALSDLGVPVEFAGEDEQFGPGDAVASFGH
RDAFLDADWVHCIRAGYDEFPVGVYEEAGTYLTNSTGIHGTTVGETVAGY
MLTFARRLHAYRDAQHDHAWDLPRYEEPFTLAGERVCVVGLGTLGRGVVD
RAAALGMEVVGVRRSGDPVDNVSTVYTPDRLHEAIADARFVVLATPLTDE
TEGMVAAPEFETMREDASLVNVARGPVVVESDLVAALDSGDIAGAALDVF
SEEPLPEDSPLWDFEDVLITPHVSAATSKYHEDVAALIRENIEKIATGDE
LTNRVV
Ligand information
Ligand ID7N5
InChIInChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
InChIKeyXNIHZNNZJHYHLC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(=O)C(=O)O
CACTVS 3.385CCCCC(=O)C(O)=O
FormulaC6 H10 O3
Name2-Ketohexanoic acid
ChEMBLCHEMBL3247426
DrugBank
ZINCZINC000001532776
PDB chain5mh6 Chain A Residue 416 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mh6 Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R66 A67 G68 H91 R226 H274 Y282
Binding residue
(residue number reindexed from 1)		R64 A65 G66 H89 R224 H272 Y280
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0031406 carboxylic acid binding
GO:0051287 NAD binding
GO:0070402 NADPH binding
GO:0070404 NADH binding
Biological Process
GO:0019752 carboxylic acid metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5mh6, PDBe:5mh6, PDBj:5mh6
PDBsum5mh6
PubMed
UniProtQ2VEQ7|DDH_HALMT D-2-hydroxyacid dehydrogenase (Gene Name=ddh)

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