Structure of PDB 7gqg Chain B Binding Site BS01

Receptor Information
>7gqg 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 IDYER
InChIInChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)
InChIKeyJCCQTGJTDPBYJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(Nc2ncccn2)c1
ACDLabs 12.01O=C(O)c1cc(ccc1)Nc1ncccn1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Nc2ncccn2)C(=O)O
FormulaC11 H9 N3 O2
Name3-[(pyrimidin-2-yl)amino]benzoic acid
ChEMBL
DrugBank
ZINCZINC000013536172
PDB chain7gqg 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]
PDB7gqg PanDDA analysis group deposition
Resolution1.3 Å
Binding residue
(original residue number in PDB)		C60 L62 R63 S177 Y178
Binding residue
(residue number reindexed from 1)		C60 L62 R63 S177 Y178
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:7gqg, PDBe:7gqg, PDBj:7gqg
PDBsum7gqg
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

[Back to BioLiP]