Structure of PDB 3brn Chain B Binding Site BS01

Receptor Information
>3brn Chain B (length=148) Species: 34602 (Argas monolakensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCDFGGPFQAYKSVNGPGNGGYYLRKTTKGTPECAYVLVPQNTLSEGQST
SFTYGKLQNGQMIQLTATVTVNGDKIEVTGALSGTTTVLFSDYRSCDVMR
GPDGNYELWVHSSAINLQSYGCCDTKFAQVAGGRPIHHTWQTYCPPLP
Ligand information
Ligand IDSRO
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChIKeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)c(c[nH]2)CCN
ACDLabs 10.04Oc1cc2c(cc1)ncc2CCN
CACTVS 3.341NCCc1c[nH]c2ccc(O)cc12
FormulaC10 H12 N2 O
NameSEROTONIN;
3-(2-AMINOETHYL)-1H-INDOL-5-OL
ChEMBLCHEMBL39
DrugBankDB08839
ZINCZINC000000057058
PDB chain3brn Chain B Residue 158 [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]
PDB3brn Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S18 Y27 F58 V84 M108 W118
Binding residue
(residue number reindexed from 1)		S13 Y22 F52 V78 M99 W109
Annotation score4
Binding affinityMOAD: Kd<2nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0030682 symbiont-mediated perturbation of host defenses

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3brn, PDBe:3brn, PDBj:3brn
PDBsum3brn
PubMed18445596
UniProtQ09JR9

[Back to BioLiP]