Structure of PDB 7h92 Chain D Binding Site BS02

Receptor Information
>7h92 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 IDAMT
InChIInChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKeyRAIPHJJURHTUIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1csc(n1)N
CACTVS 3.341Nc1sccn1
ACDLabs 10.04n1ccsc1N
FormulaC3 H4 N2 S
Name2-AMINOTHIAZOLE
ChEMBLCHEMBL344760
DrugBank
ZINCZINC000008579603
PDB chain7h92 Chain D Residue 208 [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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PDB7h92 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.43 Å
Binding residue
(original residue number in PDB)		M9 D10 R144
Binding residue
(residue number reindexed from 1)		M8 D9 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:7h92, PDBe:7h92, PDBj:7h92
PDBsum7h92
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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