Structure of PDB 7h88 Chain C Binding Site BS01

Receptor Information
>7h88 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 IDA1ASB
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(/C(C)C)\NO
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)C(=N)NO
FormulaC4 H10 N2 O
Name(1Z)-N-hydroxy-2-methylpropanimidamide
ChEMBL
DrugBank
ZINC
PDB chain7h88 Chain C Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h88 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.68 Å
Binding residue
(original residue number in PDB)		D10 I11 C143 R144
Binding residue
(residue number reindexed from 1)		D13 I14 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:7h88, PDBe:7h88, PDBj:7h88
PDBsum7h88
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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