Structure of PDB 7h8u Chain A Binding Site BS02

Receptor Information
>7h8u Chain A (length=163) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKN
SATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVT
RLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKE
WEKKISEAIQMRT
Ligand information
Ligand IDBZX
InChIInChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChIKeyLUSZGTFNYDARNI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc1O)OCO2
CACTVS 3.370Oc1ccc2OCOc2c1
ACDLabs 12.01O1c2ccc(O)cc2OC1
FormulaC7 H6 O3
Name1,3-benzodioxol-5-ol
ChEMBLCHEMBL1517998
DrugBank
ZINCZINC000000164504
PDB chain7h8u Chain A Residue 211 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8u Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.56 Å
Binding residue
(original residue number in PDB)		R8 M9 D10 R144
Binding residue
(residue number reindexed from 1)		R11 M12 D13 R147
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.7.7.-
2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.48: RNA-directed RNA polymerase.
3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.74: mRNA 5'-phosphatase.
3.6.4.13: RNA helicase.
External links
PDB RCSB:7h8u, PDBe:7h8u, PDBj:7h8u
PDBsum7h8u
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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