Structure of PDB 7h7l Chain C Binding Site BS01

Receptor Information
>7h7l 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 IDQ7L
InChIInChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)
InChIKeyLOPAFWMOCZGHFX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1cc(cc2OCOc12)c1cc[NH]n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1c3cc[nH]n3)OCO2
CACTVS 3.385C1Oc2ccc(cc2O1)c3cc[nH]n3
FormulaC10 H8 N2 O2
Name(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole
ChEMBL
DrugBank
ZINCZINC000001390251
PDB chain7h7l 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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PDB7h7l Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.35 Å
Binding residue
(original residue number in PDB)		I11 G32 V33 Y142 C143 R144
Binding residue
(residue number reindexed from 1)		I14 G35 V36 Y145 C146 R147
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:7h7l, PDBe:7h7l, PDBj:7h7l
PDBsum7h7l
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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