Structure of PDB 7h2b Chain B Binding Site BS01

Receptor Information

>7h2b Chain B (length=156) Species: 64320 (Zika virus)

GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRL
DPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGI
FKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAI
TQGKRE

Ligand information

• Ligand ID: A1AJ3
• InChI: InChI=1S/C10H17N3OS/c1-7-11-9(15-13-7)12-8-4-3-5-10(8,2)6-14/h8,14H,3-6H2,1-2H3,(H,11,12,13)/t8-,10+/m0/s1
• InChIKey: OXBOFYWMHPKHNR-WCBMZHEXSA-N
• SMILES:
  CACTVS 3.385: Cc1nsc(N[CH]2CCC[C]2(C)CO)n1
  OpenEye OEToolkits 2.0.7: Cc1nc(sn1)N[C@H]2CCC[C@]2(C)CO
  OpenEye OEToolkits 2.0.7: Cc1nc(sn1)NC2CCCC2(C)CO
  CACTVS 3.385: Cc1nsc(N[C@H]2CCC[C@]2(C)CO)n1
  ACDLabs 12.01: Cc1nc(NC2CCCC2(C)CO)sn1
• Formula: C10 H17 N3 O S
• Name: {(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl}methanol
• PDB chain: 7h2b Chain B Residue 205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7h2b PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
• Resolution: 1.602 Å
• Binding residue (original residue number in PDB): K73 Q74 T118
• Binding residue (residue number reindexed from 1): K58 Q59 T103
• 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:7h2b, PDBe:7h2b, PDBj:7h2b
• PDBsum: 7h2b
• UniProt: Q32ZE1|POLG_ZIKV Genome polyprotein