Structure of PDB 7h8k Chain B Binding Site BS02

Receptor Information
>7h8k 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 IDES7
InChIInChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKeyXDFZKQJLNGNJAN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cn1c2ccccc2nc1N
CACTVS 3.352Cn1c(N)nc2ccccc12
FormulaC8 H9 N3
Name1-methyl-1H-benzimidazol-2-amine
ChEMBLCHEMBL1232570
DrugBank
ZINCZINC000000163724
PDB chain7h8k Chain B Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7h8k Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.54 Å
Binding residue
(original residue number in PDB)		D10 G32 V33 C143 R144
Binding residue
(residue number reindexed from 1)		D13 G35 V36 C146 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:7h8k, PDBe:7h8k, PDBj:7h8k
PDBsum7h8k
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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