Structure of PDB 6zzp Chain B Binding Site BS02

Receptor Information
>6zzp Chain B (length=254) Species: 334543 (Psychrobacter arcticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATQLQQDLTGKVALVTGAASGIGRDIAETYAKAGAAVGIADINLEAAQKT
VDAIEAAGGRALAIAMDVTSEAAVNDGVQRLVDTFGGIDILVSNAGIQII
DPIHKMAFEDWKKMLAIHLDGAFLTTKAAIQHMYKDDKGGTVIYMGSVHS
HEASLFKAPYVTAKHGLLGLCRVLAKEGAVHNVRSHVICPGFVKTPLVEK
QIPQVVNDIMLVNTVDKEFTTVDDIAQLALFLAAFPTNVFTGQSIVASHG
WFMN
Ligand information
Ligand IDQT8
InChIInChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyFHSUFDYFOHSYHI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC(=O)CC(O)=O
OpenEye OEToolkits 2.0.7CCC(=O)CC(=O)O
FormulaC5 H8 O3
Name3-oxidanylidenepentanoic acid;
3-oxovalerate
ChEMBL
DrugBank
ZINCZINC000000901313
PDB chain6zzp Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zzp Dissecting the Mechanism of ( R )-3-Hydroxybutyrate Dehydrogenase by Kinetic Isotope Effects, Protein Crystallography, and Computational Chemistry.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		Q99 S148 H150 K158 Y161 F193 Q202
Binding residue
(residue number reindexed from 1)		Q98 S147 H149 K157 Y160 F192 Q201
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.1.30: 3-hydroxybutyrate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003858 3-hydroxybutyrate dehydrogenase activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6zzp, PDBe:6zzp, PDBj:6zzp
PDBsum6zzp
PubMed33391858
UniProtQ4FRT2

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