Structure of PDB 5mha Chain B Binding Site BS02

Receptor Information
>5mha Chain B (length=308) Species: 523841 (Haloferax mediterranei ATCC 33500) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHIERLAVDESVGRAMPPQRFIEALSDLGVPVEFAGEDEQFGPGDAVASF
GHRDAFLDADWVHCIRAGYDEFPVGVYEEAGTYLTNSTGIHGTTVGETVA
GYMLTFARRLHAYRDAQHDHAWDLPRYEEPFTLAGERVCVVGLGTLGRGV
VDRAAALGMEVVGVRRSGDPVDNVSTVYTPDRLHEAIADARFVVLATPLT
DETEGMVAAPEFETMREDASLVNVARGPVVVESDLVAALDSGDIAGAALD
VFSEEPLPEDSPLWDFEDVLITPHVSAATSKYHEDVAALIRENIEKIATG
DELTNRVV
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 chain5mha Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mha Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
Resolution1.57 Å
Binding residue
(original residue number in PDB)		R66 R226 H274 Y282
Binding residue
(residue number reindexed from 1)		R66 R226 H274 Y282
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
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Biological Process
External links
PDB RCSB:5mha, PDBe:5mha, PDBj:5mha
PDBsum5mha
PubMed
UniProtQ2VEQ7|DDH_HALMT D-2-hydroxyacid dehydrogenase (Gene Name=ddh)

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