Structure of PDB 7h8b Chain D Binding Site BS01

Receptor Information
>7h8b Chain D (length=159) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATP
VGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGV
NSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKK
ISEAIQMRT
Ligand information
Ligand ID3AX
InChIInChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
InChIKeyJVVRJMXHNUAPHW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1ccc(N)n1
CACTVS 3.385Nc1[nH]ncc1
OpenEye OEToolkits 1.7.6c1cn[nH]c1N
FormulaC3 H5 N3
Name1H-pyrazol-5-amine;
3-Aminopyrazole
ChEMBLCHEMBL3217770
DrugBank
ZINCZINC000095470183
PDB chain7h8b Chain D Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h8b Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.39 Å
Binding residue
(original residue number in PDB)		A22 A23 Y114
Binding residue
(residue number reindexed from 1)		A21 A22 Y113
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:7h8b, PDBe:7h8b, PDBj:7h8b
PDBsum7h8b
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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