Structure of PDB 5xpd Chain A Binding Site BS01

Receptor Information
>5xpd Chain A (length=269) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLWAFVFGILGNIISFVLFLAPVPTFVRICKKKSTEGFQSLPYVSALFNA
MLWIYYAMQKDGTAFLLITINAFGCVIETIYIVLFVSYANKKTRISTLKV
LGLLNFLGFAAIVLVCELLTKGSTREKVLGGICVGFSVSMFAAPLSIMRV
VVRTRSVEFMPFSLSLFLTINAVTWLFYGLAIKDFYVALPNVLGAFLGAV
QMILYIIFKYYKTPVAQMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDI
PDDWVCPLCGVGKDQFEEV
Ligand information
Ligand IDDCM
InChIInChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyNCMVOABPESMRCP-SHYZEUOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
FormulaC9 H14 N3 O7 P
Name2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL374699
DrugBankDB03798
ZINCZINC000003861759
PDB chain5xpd Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xpd Molecular mechanism of substrate recognition and transport by the AtSWEET13 sugar transporter
Resolution2.788 Å
Binding residue
(original residue number in PDB)		S20 L23 F24 I75 P195 N196
Binding residue
(residue number reindexed from 1)		S15 L18 F19 I70 P190 N191
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0046872 metal ion binding
GO:0051119 sugar transmembrane transporter activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5xpd, PDBe:5xpd, PDBj:5xpd
PDBsum5xpd
PubMed28878024
UniProtQ9FGQ2|SWT13_ARATH Bidirectional sugar transporter SWEET13 (Gene Name=SWEET13)

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