Structure of PDB 7h7s Chain D Binding Site BS01

Receptor Information
>7h7s Chain D (length=159) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATP
VGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGV
NSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKK
ISEAIQMRT
Ligand information
Ligand IDGT4
InChIInChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyNSZUGQROUUTGGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6COCC(=O)Nc1ccc(cc1)O
CACTVS 3.385COCC(=O)Nc1ccc(O)cc1
FormulaC9 H11 N O3
Name~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
ChEMBL
DrugBank
ZINCZINC000000363785
PDB chain7h7s Chain D Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7h7s Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.37 Å
Binding residue
(original residue number in PDB)		L99 V101
Binding residue
(residue number reindexed from 1)		L98 V100
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:7h7s, PDBe:7h7s, PDBj:7h7s
PDBsum7h7s
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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