Structure of PDB 7bts Chain A Binding Site BS03

Receptor Information
>7bts Chain A (length=449) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYKDDDDANIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAK
SELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDA
VRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTP
NRAKRVITTFRTGTWDAYAASQQWTAGMGLLMALIVLLIVAGNVLVIVAI
AKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCEL
WTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVW
AISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSF
YVPLCIMAFVYLRVFREAQKQVALREQKALKTLGIIMGVFTLCWLPFFLA
NVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQGLLC
Ligand information
Ligand ID1WV
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/t16-/m0/s1
InChIKeyLVBAGTJIDOCNIJ-INIZCTEOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O
ACDLabs 12.01O=C(OCC(O)CO)CCCCC/C=C/CCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC=CCCCCCC(=O)OCC(CO)O
CACTVS 3.385CCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO
CACTVS 3.385CCCCCCC=CCCCCCC(=O)OC[CH](O)CO
FormulaC17 H32 O4
Name(2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate
ChEMBL
DrugBank
ZINC
PDB chain7bts Chain A Residue 1411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bts Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Resolution3.13 Å
Binding residue
(original residue number in PDB)		V1360 W1364
Binding residue
(residue number reindexed from 1)		V417 W421
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0009253 peptidoglycan catabolic process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0044659 viral release from host cell by cytolysis
Cellular Component
GO:0016020 membrane
GO:0030430 host cell cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bts, PDBe:7bts, PDBj:7bts
PDBsum7bts
PubMed33093660
UniProtD9IEF7;
P08588

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