Structure of PDB 4ldl Chain A Binding Site BS02

Receptor Information
>4ldl Chain A (length=454) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAENLYFQGNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAA
KSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLD
AVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQT
PNRAKRVITTFRTGTWDAYAADEVWVVGMGIVMSLIVLAIVFGNVLVITA
IAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCE
FWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMV
WIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVS
FYVPLVIMVFVYSRVFQEAKRQLQKFALKEHKALKTLGIIMGTFTLCWLP
FFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQE
LLCL
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 chain4ldl Chain A Residue 1403 [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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PDB4ldl Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		M1040 E1306 W1313
Binding residue
(residue number reindexed from 1)		M183 E418 W425
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E876 D885
Catalytic site (residue number reindexed from 1) E19 D28
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0004930 G protein-coupled receptor activity
GO:0004941 beta2-adrenergic receptor activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0006940 regulation of smooth muscle contraction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating 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
GO:0097746 blood vessel diameter maintenance
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:4ldl, PDBe:4ldl, PDBj:4ldl
PDBsum4ldl
PubMed24056936
UniProtP00720|ENLYS_BPT4 Endolysin (Gene Name=E);
P07550|ADRB2_HUMAN Beta-2 adrenergic receptor (Gene Name=ADRB2)

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