Structure of PDB 7h6k Chain C Binding Site BS01

Receptor Information
>7h6k 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 IDK34
InChIInChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)
InChIKeyWFEGFRJBAYCOHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1csc(n1)c2[nH]ncn2
ACDLabs 12.01n1c(ncn1)c2nccs2
CACTVS 3.385[nH]1ncnc1c2sccn2
FormulaC5 H4 N4 S
Name5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
ChEMBL
DrugBank
ZINCZINC000061844368
PDB chain7h6k Chain C Residue 303 [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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PDB7h6k Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.33 Å
Binding residue
(original residue number in PDB)		A22 D31 V33 L108 V113 Y114
Binding residue
(residue number reindexed from 1)		A25 D34 V36 L111 V116 Y117
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:7h6k, PDBe:7h6k, PDBj:7h6k
PDBsum7h6k
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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