Structure of PDB 7h8c Chain B Binding Site BS02

Receptor Information
>7h8c 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 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 B Residue 205 [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 N24 D31 V113 Y114
Binding residue
(residue number reindexed from 1)		A25 N27 D34 V116 Y117
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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