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Structure of PDB 5d5b Chain A Binding Site BS03

Receptor Information >5d5b Chain A (length=442) Species: 9606,10665 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACA DLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIA VDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATH QEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKR QLNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKA IGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAL INMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRV ITTFRTGTWDAYKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCL

Ligand information Ligand ID CAU InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 InChIKey BQXQGZPYHWWCEB-ZDUSSCGKSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O OpenEye OEToolkits 1.5.0 CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O CACTVS 3.341 CC(C)NC[CH](O)COc1cccc2[nH]c3ccccc3c12 CACTVS 3.341 CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 ACDLabs 10.04 OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2 Formula C18 H22 N2 O2 Name (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol; (S)-Carazolol ChEMBL DrugBank DB07543 ZINC ZINC000001567835 PDB chain 5d5b Chain A Residue 1202 [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 5d5b In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Resolution 3.8 Å Binding residue (original residue number in PDB) D113 V114 V117 F193 S203 F289 F290 N293 N312 Y316 Binding residue (residue number reindexed from 1) D85 V86 V89 F165 S175 F389 F390 N393 N412 Y416 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) E1011 D1020 Catalytic site (residue number reindexed from 1) E212 D221 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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