Structure of PDB 7h8l Chain D Binding Site BS01

Receptor Information
>7h8l 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 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 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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PDB7h8l Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.54 Å
Binding residue
(original residue number in PDB)		D10 I11 G32 V33 Y142 C143
Binding residue
(residue number reindexed from 1)		D9 I10 G31 V32 Y141 C142
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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