Structure of PDB 8oyq Chain B Binding Site BS01

Receptor Information
>8oyq Chain B (length=172) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLH
LLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGID
KEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSGMDVVKNVVESLN
GSISIESEKDKGTKVTIRLPLT
Ligand information
Ligand IDW6T
InChIInChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
InChIKeyCZAAKPFIWJXPQT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cnc(n2)N
CACTVS 3.385Nc1ncc2ccccc2n1
FormulaC8 H7 N3
Namequinazolin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain8oyq 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]
PDB8oyq Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H62 G63 I103
Binding residue
(residue number reindexed from 1)		H58 G59 I99
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Molecular Function
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8oyq, PDBe:8oyq, PDBj:8oyq
PDBsum8oyq
PubMed
UniProtQ56310|CHEA_THEMA Chemotaxis protein CheA (Gene Name=cheA)

[Back to BioLiP]