Structure of PDB 7ef7 Chain A Binding Site BS02

Receptor Information
>7ef7 Chain A (length=236) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSPINCLIFALDDTLYPLKTGIAPAVKKNIDDFLVEKFGFSESKASSLRV
ELFKTYGSTLAGLRALGHDVHPDEYHSFVHGRLPYGSIEPNNKLRNLLNK
IKQRKIIFTNSDKNHAVKVLKKLGLEDCFEEMICFETMNPNLFGSTTRPD
EYPVVLKPSLTAMDICIRVANVDPRRTVFLDDNIHNITAGKSVGLRTILV
GRAEKTKDADYAVETVTEIATAVPEIWATATATGGF
Ligand information
Ligand IDXMP
InChIInChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1
InChIKeyDCTLYFZHFGENCW-UUOKFMHZSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c[nH+]c3C(=O)NC(=O)Nc23
OpenEye OEToolkits 1.5.0c1[nH+]c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=O
ACDLabs 10.04O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2c[nH+]c3C(=O)NC(=O)Nc23
FormulaC10 H14 N4 O9 P
NameXANTHOSINE-5'-MONOPHOSPHATE;
5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE
ChEMBL
DrugBank
ZINC
PDB chain7ef7 Chain A Residue 302 [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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PDB7ef7 Initiation of cytosolic plant purine nucleotide catabolism involves a monospecific xanthosine monophosphate phosphatase.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L13 D14 I32 F55 S60 T61 H82 T111 N112 K159
Binding residue
(residue number reindexed from 1)		L11 D12 I30 F53 S58 T59 H80 T109 N110 K157
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0106411 XMP 5'-nucleosidase activity
Biological Process
GO:0006152 purine nucleoside catabolic process
GO:0009414 response to water deprivation
GO:0009737 response to abscisic acid
GO:1903229 xanthosine biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ef7, PDBe:7ef7, PDBj:7ef7
PDBsum7ef7
PubMed34824243
UniProtQ9SKY5

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