Structure of PDB 7h9j Chain D Binding Site BS01

Receptor Information
>7h9j Chain D (length=159) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATP
VGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGV
NSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKK
ISEAIQMRT
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 D Residue 208 [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 Y142 R144
Binding residue
(residue number reindexed from 1)		D9 I10 V32 Y141 R143
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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