Structure of PDB 9bez Chain C Binding Site BS01

Receptor Information

>9bez Chain C (length=132) Species: 9606 (Homo sapiens)

KQFHTGIEIKVWAIACFAPQRQCTEVHLKSFTEQLRKISRDAGMPIQGQP
CFCKYAQGADSVEPMFRHLKNTYAGLQLVVVILPGKTPVYAEVKRVGDTV
LGMATQCVQMKNVQRTTPQTLSNLCLKINVKL

Ligand information

• Ligand ID: A1ANT
• InChI: InChI=1S/C9H15N2O14P3/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-22-8)23-27(18,19)25-28(20,21)24-26(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6-,8-/m1/s1
• InChIKey: JSABWHHNWKQTOZ-ATRFCDNQSA-N
• SMILES:
  CACTVS 3.385: CC1=CN([CH]2OC[CH](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH]2O)C(=O)NC1=O
  OpenEye OEToolkits 2.0.7: CC1=CN(C(=O)NC1=O)C2C(C(CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
  OpenEye OEToolkits 2.0.7: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
  CACTVS 3.385: CC1=CN([C@@H]2OC[C@@H](O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@H]2O)C(=O)NC1=O
• Formula: C9 H15 N2 O14 P3
• Name: [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
• PDB chain: 9bez Chain C Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9bez Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): K525 Y529 K533 Q548 K566 K570
• Binding residue (residue number reindexed from 1): K86 Y90 K94 Q109 K127 K131
• Annotation score: 1

External links

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