Structure of PDB 7h2j Chain B Binding Site BS01

Receptor Information

>7h2j Chain B (length=156) Species: 64320 (Zika virus)

GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE

Ligand information

• Ligand ID: K07
• InChI: InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1
• InChIKey: OYKZBUOZAYBEHE-MRVPVSSYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CN(CC1CCOC1)c2c(cncn2)Cl
  CACTVS 3.385: CN(C[C@H]1CCOC1)c2ncncc2Cl
  ACDLabs 12.01: n2c(N(CC1COCC1)C)c(cnc2)Cl
  OpenEye OEToolkits 2.0.6: CN(C[C@H]1CCOC1)c2c(cncn2)Cl
  CACTVS 3.385: CN(C[CH]1CCOC1)c2ncncc2Cl
• Formula: C10 H14 Cl N3 O
• Name: 5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine
• ZINC: ZINC000097166125
• PDB chain: 7h2j Chain B Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7h2j PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
• Resolution: 1.762 Å
• Binding residue (original residue number in PDB): D129 Y130 A132 S135 Y150 G151 Y161
• Binding residue (residue number reindexed from 1): D114 Y115 A117 S120 Y135 G136 Y146
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0003724 RNA helicase activity
• GO:0005524 ATP binding

External links

• PDB: RCSB:7h2j, PDBe:7h2j, PDBj:7h2j
• PDBsum: 7h2j
• UniProt: Q32ZE1|POLG_ZIKV Genome polyprotein