Structure of PDB 1oj1 Chain A Binding Site BS01

Receptor Information

>1oj1 Chain A (length=105) Species: 8400 (Aquarana catesbeiana)

EDWDTFQKKHLTDTKKVKCDVEMKKALFDCKKTNTFIFARPPRVQALCKN
IKNNTNVLSRDVFYLPQCNRKKLPCHYRLDGSTNTICLTCMKELPIHFAG
VGKCP

Ligand information

• Ligand ID: CG2
• InChI: InChI=1S/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-13(11(30)6(3-28)37-17)39-40(34,35)36-4-7-10(29)12(31)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
• InChIKey: QZDUXDLOEVJGDG-VMIOUTBZSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N
  OpenEye OEToolkits 1.5.0: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=NC5=O)N)[C@@H](O)[C@H]3O
  ACDLabs 10.04: O=C1N=C(N)C=CN1C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
  CACTVS 3.341: NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[CH]4N5C=CC(=NC5=O)N)[CH](O)[CH]3O
• Formula: C19 H25 N8 O12 P
• Name: CYTIDYL-2'-5'-PHOSPHO-GUANOSINE
• DrugBank: DB03638
• PDB chain: 1oj1 Chain A Residue 1106

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1oj1 Nonproductive and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with C(2,5 Cpg) and D(Apcpgpa)
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): N34 T35 Q67 N69 F98 G100
• Binding residue (residue number reindexed from 1): N34 T35 Q67 N69 F98 G100
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0004519 endonuclease activity
• GO:0004540 RNA nuclease activity

Biological Process

• GO:0050830 defense response to Gram-positive bacterium

External links

• PDB: RCSB:1oj1, PDBe:1oj1, PDBj:1oj1
• PDBsum: 1oj1
• UniProt: Q9DFY5