Structure of PDB 7h7s Chain C Binding Site BS01

Receptor Information
>7h7s 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 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 C Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R8 M9 D10 V33 Y142 C143 R144
Binding residue
(residue number reindexed from 1)		R11 M12 D13 V36 Y145 C146 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:7h7s, PDBe:7h7s, PDBj:7h7s
PDBsum7h7s
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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