Structure of PDB 7h8z Chain B Binding Site BS01

Receptor Information
>7h8z 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 ID4JM
InChIInChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKeyYKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CSc1ccc(N)cc1
ACDLabs 12.01c1(SC)ccc(cc1)N
OpenEye OEToolkits 1.9.2CSc1ccc(cc1)N
FormulaC7 H9 N S
Name4-(methylsulfanyl)aniline
ChEMBL
DrugBank
ZINCZINC000004244883
PDB chain7h8z Chain B Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8z Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.47 Å
Binding residue
(original residue number in PDB)		S115 G117 K118
Binding residue
(residue number reindexed from 1)		S118 G120 K121
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:7h8z, PDBe:7h8z, PDBj:7h8z
PDBsum7h8z
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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