Structure of PDB 7h6m Chain B Binding Site BS01

Receptor Information
>7h6m Chain B (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 IDYXK
InChIInChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2
InChIKeyWWHCIFNAXSSZJE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		FC(F)(F)Cn1ccnc1CC#N
OpenEye OEToolkits 2.0.7c1cn(c(n1)CC#N)CC(F)(F)F
FormulaC7 H6 F3 N3
Name[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile
ChEMBL
DrugBank
ZINCZINC000057218564
PDB chain7h6m Chain B Residue 205 [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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PDB7h6m Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.39 Å
Binding residue
(original residue number in PDB)		D145 W148
Binding residue
(residue number reindexed from 1)		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:7h6m, PDBe:7h6m, PDBj:7h6m
PDBsum7h6m
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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