Structure of PDB 7h81 Chain B Binding Site BS02

Receptor Information
>7h81 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 IDBAQ
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKeyHNJBEVLQSNELDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O=C1CCCN1
ACDLabs 12.01O=C1NCCC1
OpenEye OEToolkits 1.7.6C1CC(=O)NC1
FormulaC4 H7 N O
Namepyrrolidin-2-one
ChEMBLCHEMBL276849
DrugBank
ZINCZINC000014684428
PDB chain7h81 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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PDB7h81 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.49 Å
Binding residue
(original residue number in PDB)		G32 V33 T111
Binding residue
(residue number reindexed from 1)		G35 V36 T114
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:7h81, PDBe:7h81, PDBj:7h81
PDBsum7h81
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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