Structure of PDB 7dcb Chain A Binding Site BS02

Receptor Information
>7dcb Chain A (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 IDNOS
InChIInChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKeyUGQMRVRMYYASKQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 2.0.6c1nc2c(n1C3C(C(C(O3)CO)O)O)N=CNC2=O
OpenEye OEToolkits 2.0.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O
FormulaC10 H12 N4 O5
NameINOSINE
ChEMBLCHEMBL1556
DrugBankDB04335
ZINCZINC000008855117
PDB chain7dcb Chain A 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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PDB7dcb Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F53 N69 H80 A81 E82 F139 D140 F142 Y185
Binding residue
(residue number reindexed from 1)		F25 N41 H52 A53 E54 F111 D112 F114 Y157
Annotation score3
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:7dcb, PDBe:7dcb, PDBj:7dcb
PDBsum7dcb
PubMed36499303
UniProtQ94BU8|GSDA_ARATH Guanosine deaminase (Gene Name=GSDA)

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