Structure of PDB 3q6k Chain A Binding Site BS01

Receptor Information
>3q6k Chain A (length=380) Species: 7200 (Lutzomyia longipalpis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTQGYKWKQLLYNNVTPGSYNPDNMISTAFAYDAEGEKLFLAVPRKLPR
VPYTLAEVDTKNSLGVKGKHSPLLNKFSGHKTGKELTSIYQPVIDDCRRL
WVVDIGSVEYRSRGAKDYPSHRPAIVAYDLKQPNYPEVVRYYFPTRLVEK
PTYFGGFAVDVANPKGDCSETFVYITNFLRGALFIYDHKKQDSWNVTHPT
FKAERPTKFDYGGKEYEFKAGIFGITLGDRDSEGNRPAYYLAGSAIKVYS
VNTKELKQKGGKLNPELLGNRGKYNDAIALAYDPKTKVIFFAEANTKQVS
CWNTQKMPLRMKNTDVVYTSSRFVFGTDISVDSKGGLWFMSNGFPPIRKS
EKFKYDFPRYRLMRIMDTQEAIAGTACDMN
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 chain3q6k Chain A Residue 383 [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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PDB3q6k Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		T29 Q91 F223 T327 N342 F344
Binding residue
(residue number reindexed from 1)		T29 Q91 F223 T327 N342 F344
Annotation score4
Binding affinityManual survey: Kd=4.3nM (21795673)
PDBbind-CN: -logKd/Ki=8.37,Kd=4.3nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:3q6k, PDBe:3q6k, PDBj:3q6k
PDBsum3q6k
PubMed21795673
UniProtQ5WPU9

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