Structure of PDB 7dc9 Chain D Binding Site BS02

Receptor Information

>7dc9 Chain D (length=161) Species: 3702 (Arabidopsis thaliana)

GPHMSDHKFLTQAVEEAYKGVDCGDGGPFGAVIVHNNEVVASCHNMVLKY
TDPTAHAQVTAIREACKKLNKIELSECEIYASCEPCPMCFGAIHLSRLKR
LVYGAKAEAAIAIGFDDFIADALRGTGVYQKSSLEIKKADGNGAAIAEQV
FQNTKEKFRLY

Ligand information

• Ligand ID: GMP
• InChI: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)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: NYHBQMYGNKIUIF-UUOKFMHZSA-N
• SMILES:
  OpenEye OEToolkits 1.7.5: c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N
  CACTVS 3.385: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
  ACDLabs 10.04: O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO
  OpenEye OEToolkits 1.7.5: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
  CACTVS 3.385: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O
• Formula: C10 H13 N5 O5
• Name: GUANOSINE
• ChEMBL: CHEMBL375655
• DrugBank: DB02857
• ZINC: ZINC000001550030
• PDB chain: 7dc9 Chain D Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7dc9 The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): F53 N69 H80 Q82 C107 E108 D140 Y185
• Binding residue (residue number reindexed from 1): F29 N45 H56 Q58 C83 E84 D116 Y161
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 3.5.4.15: guanosine deaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity

External links

• PDB: RCSB:7dc9, PDBe:7dc9, PDBj:7dc9
• PDBsum: 7dc9
• PubMed: 34477187
• UniProt: Q94BU8|GSDA_ARATH Guanosine deaminase (Gene Name=GSDA)