Structure of PDB 1cyd Chain C Binding Site BS02

Receptor Information
>1cyd Chain C (length=242) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNFSGLRALVTGAGKGIGRDTVKALHASGAKVVAVTRTNSDLVSLAKECP
GIEPVCVDLGDWDATEKALGGIGPVDLLVNNAALVIMQPFLEVTKEAFDR
SFSVNLRSVFQVSQMVARDMINRGVPGSIVNVSSMVAHVTFPNLITYSST
KGAMTMLTKAMAMELGPHKIRVNSVNPTVVLTDMGKKVSADPEFARKLKE
RHPLRKFAEVEDVVNSILFLLSDRSASTSGGGILVDAGYLAS
Ligand information
Ligand IDIPA
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02OC(C)C
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(C)O
FormulaC3 H8 O
NameISOPROPYL ALCOHOL;
2-PROPANOL
ChEMBLCHEMBL582
DrugBankDB02325
ZINCZINC000000901159
PDB chain1cyd Chain C Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cyd Crystal structure of the ternary complex of mouse lung carbonyl reductase at 1.8 A resolution: the structural origin of coenzyme specificity in the short-chain dehydrogenase/reductase family.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S136 Y149
Binding residue
(residue number reindexed from 1)		S134 Y147
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G18 S136 L146 Y149 K153
Catalytic site (residue number reindexed from 1) G16 S134 L144 Y147 K151
Enzyme Commision number 1.1.1.184: carbonyl reductase (NADPH).
Gene Ontology
Molecular Function
GO:0004090 carbonyl reductase (NADPH) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
Biological Process
GO:0006116 NADH oxidation
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1cyd, PDBe:1cyd, PDBj:1cyd
PDBsum1cyd
PubMed8805511
UniProtP08074|CBR2_MOUSE Carbonyl reductase [NADPH] 2 (Gene Name=Cbr2)

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