Structure of PDB 7h8j Chain C Binding Site BS01

Receptor Information
>7h8j 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 IDW3S
InChIInChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
InChIKeyNCZQAIFOXJOCFI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2c(c1)nnc2N
CACTVS 3.385Nc1nnc2ccccn12
ACDLabs 12.01n2c(n1ccccc1n2)N
FormulaC6 H6 N4
Name[1,2,4]triazolo[4,3-a]pyridin-3-amine
ChEMBL
DrugBank
ZINCZINC000008616242
PDB chain7h8j Chain C 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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PDB7h8j Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.58 Å
Binding residue
(original residue number in PDB)		T111 C143 R144 D145 W148
Binding residue
(residue number reindexed from 1)		T114 C146 R147 D148 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:7h8j, PDBe:7h8j, PDBj:7h8j
PDBsum7h8j
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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