Structure of PDB 5xez Chain A Binding Site BS01

Receptor Information
>5xez Chain A (length=545) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVMDFLFEKWKLYGDQCHHNLSLLPPPTELVCNRTFDKYSCWPDTPANTT
ANISCPWYLPWHHKVQHRFVFKRCGPDGQWVRGPRGQPWRDASQCQMDGE
EIEVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAI
HANLFASFVLKASSVLVIDGLLRTRYSQKIGDDLSVSTWLSDGAVAGCRV
AAVFMQYGIVANYCWLLVEGLYLHNLLGLANIFEMLRIDEGLRLKIYKDT
EGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNITKDEAEKLFNQDVDAAV
RGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKR
WDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYERSFFSLYLGIGWG
APMLFVVPWAVVKCLFENVQCWTSNDNMGFWWILRFPVFLAILINFFIFV
RIVQLLVAKLRARQMHHTDYKFRLAKSTLTLIPLLGVHEVVFAFVTDEHA
QGTLRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRW
Ligand information
Ligand ID97V
InChIInChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)
InChIKeyPPTKULJUDJWTSA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5
ACDLabs 12.01CS(c1cccc(c1)NC(=O)N(Cc2ccc(cc2)C(=O)Nc3nnnn3)c4ccc(cc4)C5CCCCC5)(=O)=O
CACTVS 3.385C[S](=O)(=O)c1cccc(NC(=O)N(Cc2ccc(cc2)C(=O)Nc3[nH]nnn3)c4ccc(cc4)C5CCCCC5)c1
FormulaC29 H31 N7 O4 S
Name4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide
ChEMBLCHEMBL4758265
DrugBank
ZINC
PDB chain5xez Chain A Residue 1208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB5xez Structure of the full-length glucagon class B G-protein-coupled receptor.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		R346 L347 K349 S350 T353 L399 L403 N404
Binding residue
(residue number reindexed from 1)		R473 L474 K476 S477 T480 L526 L530 N531
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E1011 D1020
Catalytic site (residue number reindexed from 1) E240 D249
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0007166 cell surface receptor signaling pathway
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5xez, PDBe:5xez, PDBj:5xez
PDBsum5xez
PubMed28514451
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P47871|GLR_HUMAN Glucagon receptor (Gene Name=GCGR)

[Back to BioLiP]