Structure of PDB 7dox Chain A Binding Site BS02

Receptor Information

>7dox Chain A (length=157) Species: 3702 (Arabidopsis thaliana)

SDHKFLTQAVEEAYKGVDCGDGGPFGAVIVHNNEVVASCHNMVLKYTDPT
AHAEVTAIREACKKLNKIELSECEIYASCEPCPMCFGAIHLSRLKRLVYG
AKAEAAIAIGFDDFIADALRGTGVYQKSSLEIKKADGNGAAIAEQVFQNT
KEKFRLY

Ligand information

• Ligand ID: MG7
• InChI: InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1
• InChIKey: OGHAROSJZRTIOK-KQYNXXCUSA-O
• SMILES:
  CACTVS 3.341: C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
  CACTVS 3.341: C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
  OpenEye OEToolkits 1.5.0: C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
  ACDLabs 10.04: O=C1c2[n+](cn(c2N=C(N)N1)C3OC(C(O)C3O)CO)C
  OpenEye OEToolkits 1.5.0: C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O
• Formula: C11 H16 N5 O5
• Name: 7-METHYLGUANOSINE
• ChEMBL: CHEMBL1234293
• DrugBank: DB03493
• ZINC: ZINC000018130229
• PDB chain: 7dox Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7dox Asymmetric Catalysis of Arabidopsis thaliana Guanosine Deaminase Revealed by Crystal Structures
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): F53 N69 H80 E82 C107 E108 D140 F142 Y185
• Binding residue (residue number reindexed from 1): F25 N41 H52 E54 C79 E80 D112 F114 Y157
• Annotation score: 3

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

External links

• PDB: RCSB:7dox, PDBe:7dox, PDBj:7dox
• PDBsum: 7dox
• UniProt: Q94BU8|GSDA_ARATH Guanosine deaminase (Gene Name=GSDA)