Structure of PDB 7f8u Chain A Binding Site BS01

Receptor Information
>7f8u Chain A (length=438) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVS
NLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTWNLVAIS
LERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFT
KNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLEL
YQGINIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELD
KAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRA
ALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAK
RVITTFRTGTWDAYAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRA
YDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNK
Ligand information
Ligand ID1OE
InChIInChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)
InChIKeyILNRQFBVVQUOLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)Cn1c2ccccc2cc1C(=O)Nc3scc(n3)c4ccccc4Cl
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl
FormulaC20 H14 Cl N3 O3 S
Name2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
ChEMBLCHEMBL249973
DrugBankDB04867
ZINCZINC000000537914
PDB chain7f8u Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7f8u Structures of the human cholecystokinin receptors bound to agonists and antagonists.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		M121 F330 N333 R336 A343 I352
Binding residue
(residue number reindexed from 1)		M85 F393 N396 R399 A406 I415
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:7f8u, PDBe:7f8u, PDBj:7f8u
PDBsum7f8u
PubMed34556863
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P32238|CCKAR_HUMAN Cholecystokinin receptor type A (Gene Name=CCKAR)

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