Structure of PDB 9bf2 Chain B Binding Site BS01

Receptor Information

>9bf2 Chain B (length=131) Species: 9606 (Homo sapiens)

FHTGIEIKVWAIACFAPQRQCTEVHLKSFTEQLRKISRDAGMPIQGQPCF
CKYAQGADSVEPMFRHLKNTYAGLQLVVVILPGKTPVYAEVKRVGDTVLG
MATQCVQMKNVQRTTPQTLSNLCLKINVKLG

Ligand information

• Ligand ID: U
• InChI: InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: DJJCXFVJDGTHFX-XVFCMESISA-N
• SMILES:
  ACDLabs 10.04: O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
  CACTVS 3.341: O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
  CACTVS 3.341: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
• Formula: C9 H13 N2 O9 P
• Name: URIDINE-5'-MONOPHOSPHATE
• ChEMBL: CHEMBL214393
• DrugBank: DB03685
• ZINC: ZINC000002123545
• PDB chain: 9bf2 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9bf2 Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
• Resolution: 1.59 Å
• Binding residue (original residue number in PDB): L522 G524 K525 T526 Y529 K533 Q545 C546 Q548 K570
• Binding residue (residue number reindexed from 1): L81 G83 K84 T85 Y88 K92 Q104 C105 Q107 K129
• Annotation score: 4

External links

• PDB: RCSB:9bf2, PDBe:9bf2, PDBj:9bf2
• PDBsum: 9bf2
• PubMed: 38923271
• UniProt: Q9UKV8|AGO2_HUMAN Protein argonaute-2 (Gene Name=AGO2)