Structure of PDB 7h7j Chain D Binding Site BS02

Receptor Information
>7h7j 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 IDKCC
InChIInChI=1S/C9H9N3/c1-10-9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,10,12)
InChIKeyILHBRNLXKVETML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNc1cnc2ccccc2n1
FormulaC9 H9 N3
NameN-methylquinoxalin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7h7j Chain D Residue 209 [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]
PDB7h7j Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.42 Å
Binding residue
(original residue number in PDB)		R8 M9 D10 R144
Binding residue
(residue number reindexed from 1)		R7 M8 D9 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:7h7j, PDBe:7h7j, PDBj:7h7j
PDBsum7h7j
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

[Back to BioLiP]