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Receptor Information

>7dm6 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 ID

H5F

InChI

InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

InChIKey

MIKUYHXYGGJMLM-UUOKFMHZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.385	NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1
CACTVS 3.385	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(=O)N1
OpenEye OEToolkits 2.0.7	C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N

Formula

C10 H13 N5 O5

Name

6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one

PDB chain

7dm6 Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7dm6 Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Resolution	2.05 Å
Binding residue (original residue number in PDB)	F53 N69 H80 E82 P109 C110 C113 F139 D140 F142 Y185
Binding residue (residue number reindexed from 1)	F25 N41 H52 E54 P81 C82 C85 F111 D112 F114 Y157
Annotation score	3

Enzyme Commision number

3.5.4.15: guanosine deaminase.

	Molecular Function
GO:0003824	catalytic activity
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity

PDB	RCSB:7dm6, PDBe:7dm6, PDBj:7dm6
PDBsum	7dm6
PubMed	36499303
UniProt	Q94BU8\|GSDA_ARATH Guanosine deaminase (Gene Name=GSDA)

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Structure of PDB 7dm6 Chain D Binding Site BS02