Structure of PDB 7h7g Chain D Binding Site BS01

Receptor Information
>7h7g 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 IDW1P
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQELUYTUMUWHWMC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=NN(C(=O)C1)c2ccccc2
ACDLabs 12.01N2(c1ccccc1)C(=O)CC(=N2)C
FormulaC10 H10 N2 O
Name5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
ChEMBLCHEMBL290916
DrugBankDB12243
ZINCZINC000018203737
PDB chain7h7g 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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PDB7h7g Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.37 Å
Binding residue
(original residue number in PDB)		T111 G112 G117 K118 D119 D145 W148
Binding residue
(residue number reindexed from 1)		T110 G111 G116 K117 D118 D144 W147
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:7h7g, PDBe:7h7g, PDBj:7h7g
PDBsum7h7g
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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