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Structure of PDB 5tvh Chain C Binding Site BS01

Receptor Information
>5tvh Chain C (length=211) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSST
NEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTR
PVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSW
VYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYID
VNLVVKFRERR
Ligand information
Ligand ID7KO
InChIInChI=1S/C16H15ClN6/c17-14-7-15(22-16(18)21-14)23(10-12-3-1-5-19-8-12)11-13-4-2-6-20-9-13/h1-9H,10-11H2,(H2,18,21,22)
InChIKeyJDMRUOFJLDXEIQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1nc(Cl)cc(n1)N(Cc2cccnc2)Cc3cccnc3
OpenEye OEToolkits 2.0.6c1cc(cnc1)CN(Cc2cccnc2)c3cc(nc(n3)N)Cl
ACDLabs 12.01c1c(nc(nc1Cl)N)N(Cc2cccnc2)Cc3cnccc3
FormulaC16 H15 Cl N6
Name6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
ChEMBL
DrugBank
ZINC
PDB chain5tvh Chain C Residue 301 [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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PDB5tvh Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W147 Y188
Binding residue
(residue number reindexed from 1)		W150 Y191
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0005216 monoatomic ion channel activity
GO:0005230 extracellular ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane

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