Structure of PDB 3pxp Chain C Binding Site BS01

Receptor Information
>3pxp Chain C (length=289) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMERAAFGKLVQALRREHRDEKGRVWTQEVLAERTQLPKRTIERIENGSL
AHLDADILLRLADALELTIGERREFFFAATGIIEQKSATYKRSPEESLQY
LIDMIRNMNVPAFVTDQYVNIIAANMITIRFFNIPMELIETAPLLPHGYN
LMRVVFGTEYDFRRVVGTMWDEVARHNMQLFRAISLRVRADGYFVELLDN
LMQYREFKRFWERAHLETEDTSAENFWYQYTHPVYGLLSYVSSRSQIPTS
MGLLSMHTYIPLSPATTDLFAKLSTVANQDVIRLAPWPR
Ligand information
Ligand IDMYR
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCCCCCC
FormulaC14 H28 O2
NameMYRISTIC ACID
ChEMBLCHEMBL111077
DrugBankDB08231
ZINCZINC000001530417
PDB chain3pxp Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pxp Structure of an MmyB-Like Regulator from C. aurantiacus, Member of a New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F112 I120 I133 L150 V153 Y227 Y258
Binding residue
(residue number reindexed from 1)		F113 I121 I134 L151 V154 Y228 Y259
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3pxp, PDBe:3pxp, PDBj:3pxp
PDBsum3pxp
PubMed22844465
UniProtA9WGF5

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