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Structure of PDB 6orv Chain RP Binding Site BS01

Receptor Information >6orv Chain RP (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] PEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFAS FILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYC VAANYYWLLVEGVYLYTLLAFSVFSEQWIFRLYVSIGWGVPLLFVVPWGI VKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLK ADIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTS FQGLMVAILYCFVNNEVQLEFRKSWERWRLE

Ligand information Ligand ID N2V InChI InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1 InChIKey DEDPYBWOUXWMOX-ZTAAISNPSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 CCC(c1ccccc1)N2Cc3cc4c(cc3CC2C(=O)NC(Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OCC(O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl CACTVS 3.385 CC[CH](N1Cc2cc3O[CH](COc3cc2C[CH]1C(=O)N[CH](Cc4ccc(cc4)c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c(Cl)c7)cc6)c8ccccc8 CACTVS 3.385 CC[C@H](N1Cc2cc3O[C@H](COc3cc2C[C@H]1C(=O)N[C@@H](Cc4ccc(cc4)c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c(Cl)c7)cc6)c8ccccc8 OpenEye OEToolkits 2.0.7 CC[C@@H](c1ccccc1)N2Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc(cc7)OCc8ccc(c(c8)Cl)Cl ACDLabs 12.01 c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC Formula C50 H47 Cl2 N3 O6 Name N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine ChEMBL CHEMBL3950796 DrugBank ZINC PDB chain 6orv Chain RP Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6orv Activation of the GLP-1 receptor by a non-peptidic agonist. Resolution 3.0 Å Binding residue (original residue number in PDB) Y145 Y148 V194 K197 D198 A200 L201 W203 M204 L217 Y220 F230 W297 Binding residue (residue number reindexed from 1) Y9 Y12 V58 K61 D62 A64 L65 W67 M68 L81 Y84 F94 W161 Annotation score 1 Binding affinity BindingDB: EC50=13nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0004888 transmembrane signaling receptor activity GO:0004930 G protein-coupled receptor activity GO:0004967 glucagon receptor activity GO:0005515 protein binding GO:0008528 G protein-coupled peptide receptor activity GO:0017046 peptide hormone binding GO:0038023 signaling receptor activity GO:0044508 glucagon-like peptide 1 receptor activity

	Biological Process
GO:0007166	cell surface receptor signaling pathway
GO:0007186	G protein-coupled receptor signaling pathway
GO:0007189	adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007190	activation of adenylate cyclase activity
GO:0007204	positive regulation of cytosolic calcium ion concentration
GO:0007611	learning or memory
GO:0008016	regulation of heart contraction
GO:0019933	cAMP-mediated signaling
GO:0031204	post-translational protein targeting to membrane, translocation
GO:0045776	negative regulation of blood pressure
GO:0045777	positive regulation of blood pressure
GO:0046879	hormone secretion
GO:0071377	cellular response to glucagon stimulus
GO:1990911	response to psychosocial stress

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

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