Structure of PDB 7h9e Chain D Binding Site BS02

Receptor Information
>7h9e 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 ID4FS
InChIInChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKeySVNCRRZKBNSMIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cnc2ccccc2c1
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cc(cn2)N
ACDLabs 12.01c2c(N)cc1ccccc1n2
FormulaC9 H8 N2
Namequinolin-3-amine
ChEMBLCHEMBL80298
DrugBank
ZINCZINC000000039224
PDB chain7h9e Chain D Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h9e Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.49 Å
Binding residue
(original residue number in PDB)		R8 M9 R144
Binding residue
(residue number reindexed from 1)		R7 M8 R143
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:7h9e, PDBe:7h9e, PDBj:7h9e
PDBsum7h9e
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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