Structure of PDB 1yxm Chain B Binding Site BS01

Receptor Information
>1yxm Chain B (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSYLAPGLLQGQVAIVTGGATGIGKAIVKELLELGSNVVIASRKLERLKS
AADELQANLPPTKQARVIPIQCNIRNEEEVNNLVKSTLDTFGKINFLVNN
GGGQFLSPAEHISSKGWHAVLETNLTGTFYMCKAVYSSWMKEHGGSIVNI
IVPTKAGFPLAVHSGAARAGVYNLTKSLALEWACSGIRINCVAPGVIYSQ
TAQSFFEGSFQKIPAKRIGVPEEVSSVVCFLLSPAASFITGQSVDVDGGR
SLYTHSYEVPDHDNWPKGAGDLSVVKKMKETFK
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1yxm Chain B Residue 4002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yxm Crystal structure of perixomal trans 2-enoyl CoA reductase (PECRA)
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S49 R50 C79 N80 I81 T130
Binding residue
(residue number reindexed from 1)		S42 R43 C72 N73 I74 T123
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G29 V159 G164 H170 S171 R175
Catalytic site (residue number reindexed from 1) G22 V152 G157 H163 S164 R168
Enzyme Commision number 1.3.1.38: trans-2-enoyl-CoA reductase (NADPH).
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
GO:0008670 2,4-dienoyl-CoA reductase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0019166 trans-2-enoyl-CoA reductase (NADPH) activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0033306 phytol metabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005777 peroxisome
GO:0005778 peroxisomal membrane
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yxm, PDBe:1yxm, PDBj:1yxm
PDBsum1yxm
PubMed
UniProtQ9BY49|PECR_HUMAN Peroxisomal trans-2-enoyl-CoA reductase (Gene Name=PECR)

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