Structure of PDB 7h9j Chain A Binding Site BS01

Receptor Information
>7h9j 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 ID4JO
InChIInChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKeySEOZHXRTVJPQPZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(ccc(n1)N)Br
CACTVS 3.385Cc1nc(N)ccc1Br
ACDLabs 12.01Brc1ccc(nc1C)N
FormulaC6 H7 Br N2
Name5-bromo-6-methylpyridin-2-amine
ChEMBL
DrugBank
ZINCZINC000019015078
PDB chain7h9j Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h9j Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D10 I11 V33 R144
Binding residue
(residue number reindexed from 1)		D13 I14 V36 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:7h9j, PDBe:7h9j, PDBj:7h9j
PDBsum7h9j
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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