Structure of PDB 7gq3 Chain B Binding Site BS01

Receptor Information
>7gq3 Chain B (length=180) Species: 42789 (enterovirus D68) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYIN
DVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDA
VLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGV
VTTTGKVIGIHVGGNGAQGFAAMLLHSYFT
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 chain7gq3 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7gq3 PanDDA analysis group deposition
Resolution1.42 Å
Binding residue
(original residue number in PDB)		T20 E21 I46 Y48
Binding residue
(residue number reindexed from 1)		T20 E21 I46 Y48
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7gq3, PDBe:7gq3, PDBj:7gq3
PDBsum7gq3
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

[Back to BioLiP]