Structure of PDB 7h7t Chain A Binding Site BS01

Receptor Information
>7h7t 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 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 A Residue 209 [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)		D10 I11 G32 V33 Y142
Binding residue
(residue number reindexed from 1)		D13 I14 G35 V36 Y145
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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