Structure of PDB 7h7m Chain C Binding Site BS01

Receptor Information
>7h7m 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 IDA1AP9
InChIInChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1
InChIKeyPLFDWSDBRBNQLQ-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1NC(=O)[C]2(CCCNC2)N1
OpenEye OEToolkits 2.0.7C1CC2(CNC1)C(=O)NC(=O)N2
CACTVS 3.385O=C1NC(=O)[C@@]2(CCCNC2)N1
ACDLabs 12.01O=C1NC(=O)NC21CCCNC2
OpenEye OEToolkits 2.0.7C1C[C@]2(CNC1)C(=O)NC(=O)N2
FormulaC7 H11 N3 O2
Name(5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain7h7m Chain C Residue 204 [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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PDB7h7m Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.49 Å
Binding residue
(original residue number in PDB)		G112 D145 W148
Binding residue
(residue number reindexed from 1)		G115 D148 W151
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:7h7m, PDBe:7h7m, PDBj:7h7m
PDBsum7h7m
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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