Structure of PDB 7h6q Chain C Binding Site BS01

Receptor Information
>7h6q 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 IDYG5
InChIInChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKeyAOLISVCNSODKGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1
FormulaC11 H13 N3 O
Name2-(1H-indazol-1-yl)-N,N-dimethylacetamide
ChEMBLCHEMBL4540215
DrugBank
ZINCZINC000096404712
PDB chain7h6q Chain C Residue 305 [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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PDB7h6q Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.35 Å
Binding residue
(original residue number in PDB)		D10 I11 V33
Binding residue
(residue number reindexed from 1)		D13 I14 V36
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:7h6q, PDBe:7h6q, PDBj:7h6q
PDBsum7h6q
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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