Structure of PDB 8irn Chain A Binding Site BS01

Receptor Information
>8irn Chain A (length=540) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKLLNRLNTYVGSSRVGKRFKLAERNSTFTTELRAGTATFLTMAYILAVN
ASILSDSGGTCSVSDCIPLCSNPAIEPSQCTGPGLRLIQPDVSCKFNPVN
PGYAACVEEIRKDLIVATVAASLIGCVIMGLMANLPLALAPGMGTNAYFA
YTVVGFHGSGSISYRTALAAVFIEGLIFLFISAIGFRAKLAKLVPKPVRI
SSSAGIGLFLAFIGLQNNQGIGLVGYSPSTLVTLAACPASSRISLAPVIT
SANGTVSLLAGGSVSGDIMCIHGRMESPTFWLGIVGFVIIAYCLVKNVKG
AMIYGIVFVTAVSWFRNTEVTAFPNTSAGDAAHDYFKKIVDVHVIKHTAG
ALSFSGINKGHFWEALVTFLYVDILDTTGTLYSMARFAGFVDEKGDFAGQ
YFAFMSDASAIVIGSLLGTSPVTVFIESSTGIREGGRTGLTAITVAVYFL
LAMFFTPLLASIPAWAVGPPLILVGVMMMKSVTEIDWEDMREAIPAFVTM
ILMPLTYSVAYGLIGGIGSYVVLHLWDWGEEGLVKLGFLK
Ligand information
Ligand IDEMU
InChIInChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyNWBJYWHLCVSVIJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CNc2c3c([nH]cn3)ncn2
CACTVS 3.341C(Nc1ncnc2[nH]cnc12)c3ccccc3
ACDLabs 10.04n2c1c(ncn1)c(nc2)NCc3ccccc3
FormulaC12 H11 N5
NameN-BENZYL-9H-PURIN-6-AMINE;
BENZYLAMINOPURINE
ChEMBLCHEMBL228862
DrugBank
ZINCZINC000000043479
PDB chain8irn Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8irn Structures and mechanisms of the Arabidopsis cytokinin transporter AZG1.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		M160 G161 I223 V389 D393 F442 I443 M495
Binding residue
(residue number reindexed from 1)		M143 G144 I206 V372 D376 F425 I426 M478
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005345 purine nucleobase transmembrane transporter activity
GO:0015205 nucleobase transmembrane transporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006863 purine nucleobase transport
GO:0015853 adenine transport
GO:0015854 guanine transport
GO:0055085 transmembrane transport
GO:1904823 purine nucleobase transmembrane transport
Cellular Component
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8irn, PDBe:8irn, PDBj:8irn
PDBsum8irn
PubMed38172575
UniProtQ9SRK7|AZG1_ARATH Adenine/guanine permease AZG1 (Gene Name=AZG1)

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