Structure of PDB 3luj Chain A Binding Site BS01

Receptor Information

>3luj Chain A (length=134) Species: 9606 (Homo sapiens)

KQFHTGIEIKVWAIACFAPQRQCTEVHLKSFTEQLRKISRDAGMPIQGQP
CFCKYAQGADSVEPMFRHLKNTYAGLQLVVVILPGKTPVYAEVKRVGDTV
LGMATQCVQMKNVQRTTPQTLSNLCLKINVKLGG

Ligand information

• Ligand ID: U5P
• 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: 3luj Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3luj Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
• Resolution: 1.796 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): L83 G85 K86 T87 Y90 K94 Q106 C107 Q109 K131
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.12mM

Enzymatic activity

• Enzyme Commision number: 3.1.26.n2: argonaute-2.

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding

External links

• PDB: RCSB:3luj, PDBe:3luj, PDBj:3luj
• PDBsum: 3luj
• PubMed: 20505670
• UniProt: Q9UKV8|AGO2_HUMAN Protein argonaute-2 (Gene Name=AGO2)