Structure of PDB 6xya Chain B Binding Site BS01

Receptor Information

>6xya Chain B (length=112) Species: 992210 (SFTS virus AH12)

GTLGGFSKPQKTFVRPGGGVGYKGKGVWTGVMEDTHVQILIDGDGTSNWL
EEIRLSSDARLYDVIESIRRLCDDLGINNRVASAYRGHCMVRLSGFKIKP
ASRTDGCPVRIM

Ligand information

• Ligand ID: MGP
• InChI: InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
• InChIKey: DKVRNHPCAOHRSI-KQYNXXCUSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.341: C[n+]1cn([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
  OpenEye OEToolkits 1.5.0: C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N)NC1=O)C)C(O)C3O
  CACTVS 3.341: C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
• Formula: C11 H19 N5 O14 P3
• Name: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL1234303
• DrugBank: DB02716
• ZINC: ZINC000015601432
• PDB chain: 6xya Chain B Residue 1901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xya Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): F1703 Q1707 Y1719 L1772
• Binding residue (residue number reindexed from 1): F6 Q10 Y22 L75
• Annotation score: 1
• Binding affinity: MOAD: Kd=138uM

Enzymatic activity

• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.
  3.1.-.-

External links

• PDB: RCSB:6xya, PDBe:6xya, PDBj:6xya
• PDBsum: 6xya
• PubMed: 32313945
• UniProt: I0DF35|L_SFTS RNA-directed RNA polymerase L