Structure of PDB 6cv8 Chain A Binding Site BS01

Receptor Information

>6cv8 Chain A (length=87) Species: 11888 (Rous sarcoma virus - Prague C)

SEAVIKVISSACKTYCGKTSPSKKEIGAMLSLLQKEGLLMSPSDLYSPGS
WDPITAALSQRAMILGKSGELKTWGLVLGALKAAREE

Ligand information

• Ligand ID: I3P
• InChI: InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
• InChIKey: MMWCIQZXVOZEGG-XJTPDSDZSA-N
• SMILES:
  ACDLabs 10.04: O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
  OpenEye OEToolkits 1.5.0: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
  CACTVS 3.341: O[CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O
  CACTVS 3.341: O[C@@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O
• Formula: C6 H15 O15 P3
• Name: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
• ChEMBL: CHEMBL279107
• DrugBank: DB03401
• ZINC: ZINC000004095598
• PDB chain: 6cv8 Chain A Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cv8 Structural basis for targeting avian sarcoma virus Gag polyprotein to the plasma membrane for virus assembly.
• Resolution: N/A
• Binding residue (original residue number in PDB): K6 S9 K23 K24
• Binding residue (residue number reindexed from 1): K6 S9 K23 K24
• Annotation score: 1
• Binding affinity: PDBbind-CN: -logKd/Ki=3.17,Kd=0.68mM

Enzymatic activity

• Enzyme Commision number: 2.7.7.-
  2.7.7.49: RNA-directed DNA polymerase.
  2.7.7.7: DNA-directed DNA polymerase.
  3.1.-.-
  3.1.26.4: ribonuclease H.
  3.4.23.-

External links

• PDB: RCSB:6cv8, PDBe:6cv8, PDBj:6cv8
• PDBsum: 6cv8
• PubMed: 30309983
• UniProt: P03354|POL_RSVP Gag-Pol polyprotein (Gene Name=gag-pol)