Structure of PDB 7h8t Chain C Binding Site BS01

Receptor Information
>7h8t Chain C (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 IDA1AQI
InChIInChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)
InChIKeyUDJSHISPNDRJNE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(C)n1c2ccccc2nc1N
CACTVS 3.385CC(C)n1c(N)nc2ccccc12
FormulaC10 H13 N3
Name1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine
ChEMBL
DrugBank
ZINC
PDB chain7h8t Chain C Residue 207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8t Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.43 Å
Binding residue
(original residue number in PDB)		D10 I11 G32 V33 Y142
Binding residue
(residue number reindexed from 1)		D13 I14 G35 V36 Y145
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:7h8t, PDBe:7h8t, PDBj:7h8t
PDBsum7h8t
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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