Structure of PDB 7h9c Chain A Binding Site BS01

Receptor Information
>7h9c 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 IDA1AQJ
InChIInChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2
InChIKeyPELYAGCBLDBUTI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)C(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)C(=O)N2CCOCC2
ACDLabs 12.01O=C(c1cccc(O)c1)N1CCOCC1
FormulaC11 H13 N O3
Name(3-hydroxyphenyl)(morpholin-4-yl)methanone
ChEMBL
DrugBank
ZINC
PDB chain7h9c Chain A Residue 209 [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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PDB7h9c Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.41 Å
Binding residue
(original residue number in PDB)		G112 G117 D119 W148
Binding residue
(residue number reindexed from 1)		G115 G120 D122 W151
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:7h9c, PDBe:7h9c, PDBj:7h9c
PDBsum7h9c
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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