Structure of PDB 3q6k Chain B Binding Site BS01

Receptor Information
>3q6k Chain B (length=381) 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
EKFKYDFPRYRLMRIMDTQEAIAGTACDMNA
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 B 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 Y90 T327 N342 F344
Binding residue
(residue number reindexed from 1)		T29 Y90 T327 N342 F344
Annotation score4
Binding affinityManual survey: Kd=4.3nM (21795673)
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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