Structure of PDB 7h6x Chain A Binding Site BS02

Receptor Information
>7h6x Chain A (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 IDO2A
InChIInChI=1S/C10H10N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-6,12H,1H3,(H,11,13)
InChIKeyOKVUYVXDTGOYRU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cccc2cc[nH]c12
OpenEye OEToolkits 2.0.6CNC(=O)c1cccc2c1[nH]cc2
ACDLabs 12.01N(C(c2cccc1ccnc12)=O)C
FormulaC10 H10 N2 O
NameN-methyl-1H-indole-7-carboxamide
ChEMBLCHEMBL4576940
DrugBank
ZINCZINC000076189815
PDB chain7h6x Chain B Residue 201 [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]
PDB7h6x Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.33 Å
Binding residue
(original residue number in PDB)		R8 M9 D10 R144
Binding residue
(residue number reindexed from 1)		R11 M12 D13 R147
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:7h6x, PDBe:7h6x, PDBj:7h6x
PDBsum7h6x
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

[Back to BioLiP]