Structure of PDB 7h7j Chain D Binding Site BS01

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 208 [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)		D10 G32 V33 Y142 C143
Binding residue
(residue number reindexed from 1)		D9 G31 V32 Y141 C142
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]