Structure of PDB 2znq Chain B Binding Site BS01

Receptor Information
>2znq Chain B (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGAPFVIHDIETLWQAE
KGLVWLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQV
TLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIE
PKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILR
ALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSL
HPLLQEIYKD
Ligand information
Ligand IDB7G
InChIInChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyNIDYWHLDTIVRJT-UJPOAAIJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CCCCCCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
FormulaC13 H26 O6
Nameheptyl beta-D-glucopyranoside;
HEPTYL-BETA-D-GLUCOPYRANOSIDE;
heptyl beta-D-glucoside;
heptyl D-glucoside;
heptyl glucoside
ChEMBL
DrugBankDB03338
ZINCZINC000048016017
PDB chain2znq Chain B Residue 920 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2znq Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Resolution2.65 Å
Binding residue
(original residue number in PDB)		V315 L318 K319 E471 K474
Binding residue
(residue number reindexed from 1)		V100 L103 K104 E256 K259
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2znq, PDBe:2znq, PDBj:2znq
PDBsum2znq
PubMed19622862
UniProtQ03181|PPARD_HUMAN Peroxisome proliferator-activated receptor delta (Gene Name=PPARD)

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