Structure of PDB 7dcw Chain D Binding Site BS02

Receptor Information
>7dcw Chain D (length=157) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDHKFLTQAVEEAYKGVDCGDGGPFGAVIVHNNEVVASCHNMVLKYTDPT
AHAEVTAIREACKKLNKIELSECEIYASCEPCPMCFGAIHLSRLKRLVYG
AKAEAAIAIGFDDFIADALRGTGVYQKSSLEIKKADGNGAAIAEQVFQNT
KEKFRLY
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain7dcw Chain D Residue 202 [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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PDB7dcw Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Resolution2.3 Å
Binding residue
(original residue number in PDB)
F53 N69 H80 F139 D140 F142 Y185
Binding residue
(residue number reindexed from 1)
F25 N41 H52 F111 D112 F114 Y157
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.4.15: guanosine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:7dcw, PDBe:7dcw, PDBj:7dcw
PDBsum7dcw
PubMed36499303
UniProtQ94BU8|GSDA_ARATH Guanosine deaminase (Gene Name=GSDA)

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