Structure of PDB 7h8b Chain C Binding Site BS01

Receptor Information
>7h8b 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 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 C Residue 204 [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)		P25 V52 N72 N75 Y76 Y114
Binding residue
(residue number reindexed from 1)		P28 V55 N75 N78 Y79 Y117
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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