Structure of PDB 7h8d Chain B Binding Site BS01

Receptor Information
>7h8d 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 IDT9F
InChIInChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3
InChIKeyXWENGDIACIBQQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01COc1ccc(cc1)C1=CCNCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)C2=CCNCC2
FormulaC12 H15 N O
Name4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine
ChEMBL
DrugBank
ZINCZINC000019280545
PDB chain7h8d 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7h8d Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.61 Å
Binding residue
(original residue number in PDB)		G117 K118 D119 W148
Binding residue
(residue number reindexed from 1)		G120 K121 D122 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:7h8d, PDBe:7h8d, PDBj:7h8d
PDBsum7h8d
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

[Back to BioLiP]