Structure of PDB 8oz9 Chain B Binding Site BS01

Receptor Information
>8oz9 Chain B (length=173) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLH
LLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGID
KEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSVGMDVVKNVVESL
NGSISIESEKDKGTKVTIRLPLT
Ligand information
Ligand IDW6E
InChIInChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16)
InChIKeyBRODMNADNZNYMX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cnc(nc2cc1c3cnn[nH]3)N
CACTVS 3.385Nc1ncc2ccc(cc2n1)c3[nH]nnc3
FormulaC10 H8 N6
Name7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine
ChEMBL
DrugBank
ZINC
PDB chain8oz9 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oz9 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H62 G63 I103 T180
Binding residue
(residue number reindexed from 1)		H58 G59 I99 T164
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8oz9, PDBe:8oz9, PDBj:8oz9
PDBsum8oz9
PubMed
UniProtQ56310|CHEA_THEMA Chemotaxis protein CheA (Gene Name=cheA)

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