Structure of PDB 7h9a Chain D Binding Site BS01

Receptor Information
>7h9a 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 IDFBB
InChIInChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyCJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)sc(n2)N
CACTVS 3.370Nc1sc2cc(F)ccc2n1
ACDLabs 12.01Fc1ccc2nc(sc2c1)N
FormulaC7 H5 F N2 S
Name6-fluoro-1,3-benzothiazol-2-amine
ChEMBLCHEMBL98406
DrugBank
ZINCZINC000017744334
PDB chain7h9a 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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PDB7h9a Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.63 Å
Binding residue
(original residue number in PDB)		D10 V33 Y142 C143 R144
Binding residue
(residue number reindexed from 1)		D9 V32 Y141 C142 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:7h9a, PDBe:7h9a, PDBj:7h9a
PDBsum7h9a
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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