Structure of PDB 7h7t Chain C Binding Site BS02

Receptor Information
>7h7t Chain C (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 IDA1AQC
InChIInChI=1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKeyXQDNBMXUZGAWSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCc1ccc2OCCc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1CO)CCO2
ACDLabs 12.01OCc1cc2CCOc2cc1
FormulaC9 H10 O2
Name(2,3-dihydro-1-benzofuran-5-yl)methanol
ChEMBL
DrugBank
ZINC
PDB chain7h7t Chain C Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h7t Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.34 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:7h7t, PDBe:7h7t, PDBj:7h7t
PDBsum7h7t
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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