Structure of PDB 7h8k Chain C Binding Site BS01
Receptor Information
>7h8k Chain C (length=163) Species:
37124
(Chikungunya virus) [
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GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKN
SATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVT
RLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKE
WEKKISEAIQMRT
Ligand information
Ligand ID
ES7
InChI
InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKey
XDFZKQJLNGNJAN-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
Cn1c2ccccc2nc1N
CACTVS 3.352
Cn1c(N)nc2ccccc12
Formula
C8 H9 N3
Name
1-methyl-1H-benzimidazol-2-amine
ChEMBL
CHEMBL1232570
DrugBank
ZINC
ZINC000000163724
PDB chain
7h8k Chain C Residue 208 [
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Receptor-Ligand Complex Structure
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PDB
7h8k
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution
1.54 Å
Binding residue
(original residue number in PDB)
D10 I11 V33 Y142 C143
Binding residue
(residue number reindexed from 1)
D13 I14 V36 Y145 C146
Annotation score
1
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
PDBsum
7h8k
PubMed
UniProt
Q8JUX6
|POLN_CHIKS Polyprotein P1234
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