Structure of PDB 8oyz Chain B Binding Site BS01

Receptor Information
>8oyz 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 IDWXC
InChIInChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
InChIKeyZXWJMLMXKMSYTP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(nc(n1)N)CCCC2=O
CACTVS 3.385Nc1ncc2C(=O)CCCc2n1
FormulaC8 H9 N3 O
Name2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one
ChEMBL
DrugBank
ZINC
PDB chain8oyz 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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PDB8oyz Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H62 I103
Binding residue
(residue number reindexed from 1)		H58 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

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Molecular Function
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Biological Process
External links
PDB RCSB:8oyz, PDBe:8oyz, PDBj:8oyz
PDBsum8oyz
PubMed
UniProtQ56310|CHEA_THEMA Chemotaxis protein CheA (Gene Name=cheA)

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