Structure of PDB 7h8a Chain C Binding Site BS01

Receptor Information
>7h8a 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 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 C Residue 305 [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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PDB7h8a Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.38 Å
Binding residue
(original residue number in PDB)		A22 A23 N24 D31 C34 V113
Binding residue
(residue number reindexed from 1)		A25 A26 N27 D34 C37 V116
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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