Structure of PDB 7h8c Chain A Binding Site BS01

Receptor Information
>7h8c Chain A (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 IDXJV
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKeyYAMHXTCMCPHKLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		O=C1NCCN1
OpenEye OEToolkits 2.0.7C1CNC(=O)N1
FormulaC3 H6 N2 O
Nameimidazolidin-2-one
ChEMBLCHEMBL12034
DrugBank
ZINCZINC000001666720
PDB chain7h8c Chain A Residue 209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8c Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.52 Å
Binding residue
(original residue number in PDB)		A22 G32 V33 L108
Binding residue
(residue number reindexed from 1)		A25 G35 V36 L111
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:7h8c, PDBe:7h8c, PDBj:7h8c
PDBsum7h8c
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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