Structure of PDB 7h8a Chain A Binding Site BS01

Receptor Information
>7h8a 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 IDIRU
InChIInChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
InChIKeyUIEABCXJWANXFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCc1[nH]ncc1
OpenEye OEToolkits 2.0.7c1cn[nH]c1CO
FormulaC4 H6 N2 O
Name1~{H}-pyrazol-5-ylmethanol
ChEMBLCHEMBL3275945
DrugBank
ZINCZINC000004343992
PDB chain7h8a Chain A Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8a Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.38 Å
Binding residue
(original residue number in PDB)		A22 N24 G30 D31
Binding residue
(residue number reindexed from 1)		A25 N27 G33 D34
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:7h8a, PDBe:7h8a, PDBj:7h8a
PDBsum7h8a
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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