Structure of PDB 4ge1 Chain A Binding Site BS01

Receptor Information
>4ge1 Chain A (length=195) Species: 13249 (Rhodnius prolixus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGCSTVDTVKDFNKDNFFTGSWYITHYKLGDSTLEVGDKNCTKFLHQKTA
DGKIKEVFSNYNPNAKTYSYDISFAKVSDFDGNNGKYTAKNVIVEKDGRK
IDERTLQVSYIDTDYSKYSVVHVCDPAAPDYYLYAVQSRTENVKEDVKSK
VEAALGKVGLKLSGLFDATTLGNKCQYDDETLQKLLKQSFPNYEK
Ligand information
Ligand IDTSS
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKeyAPJYDQYYACXCRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCN
ACDLabs 10.04c1cccc2c1c(cn2)CCN
FormulaC10 H12 N2
Name2-(1H-INDOL-3-YL)ETHANAMINE;
TRYPTAMINE
ChEMBLCHEMBL6640
DrugBankDB08653
ZINCZINC000000120144
PDB chain4ge1 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ge1 Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		I25 F59 D72 V109 V124
Binding residue
(residue number reindexed from 1)		I24 F58 D71 V108 V123
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=6.43,Kd=370nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0051381 histamine binding
GO:0070026 nitric oxide binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4ge1, PDBe:4ge1, PDBj:4ge1
PDBsum4ge1
PubMed23275168
UniProtQ86PT9

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