Structure of PDB 7h8l Chain C Binding Site BS01

Receptor Information
>7h8l 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 IDA1AJR
InChIInChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
InChIKeyOALXTMWCXNPUKJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C1CNc2cccnc2C1
OpenEye OEToolkits 2.0.7c1cc2c(nc1)CCCN2
ACDLabs 12.01c1ccnc2CCCNc12
FormulaC8 H10 N2
Name1,2,3,4-tetrahydro-1,5-naphthyridine
ChEMBL
DrugBank
ZINC
PDB chain7h8l Chain C Residue 207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8l Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.54 Å
Binding residue
(original residue number in PDB)		D10 I11 V33 A36 Y142
Binding residue
(residue number reindexed from 1)		D13 I14 V36 A39 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:7h8l, PDBe:7h8l, PDBj:7h8l
PDBsum7h8l
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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