Structure of PDB 7h99 Chain B Binding Site BS01

Receptor Information
>7h99 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 IDLG4
InChIInChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
InChIKeyCMBSSVKZOPZBKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ccc(N)nc1
OpenEye OEToolkits 1.5.0Cc1ccc(nc1)N
ACDLabs 10.04n1cc(ccc1N)C
FormulaC6 H8 N2
Name5-METHYLPYRIDIN-2-AMINE;
2-AMINO-5-PICOLINE
ChEMBLCHEMBL61990
DrugBank
ZINCZINC000000164623
PDB chain7h99 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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PDB7h99 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.43 Å
Binding residue
(original residue number in PDB)		D10 I11 V33 Y142 C143 R144
Binding residue
(residue number reindexed from 1)		D13 I14 V36 Y145 C146 R147
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:7h99, PDBe:7h99, PDBj:7h99
PDBsum7h99
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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