Structure of PDB 8p3n Chain A Binding Site BS01

Receptor Information
>8p3n Chain A (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
KEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTGMDVVKNVVESL
NGSISIESEKDKGTKVTIRLPLT
Ligand information
Ligand IDADZ
InChIInChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
InChIKeyWRXCXOUDSPTXNX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cn1cnc2c(N)ncnc12
OpenEye OEToolkits 1.5.0Cn1cnc2c1ncnc2N
ACDLabs 10.04n1c(c2ncn(c2nc1)C)N
FormulaC6 H7 N5
Name9-METHYL-9H-PURIN-6-AMINE
ChEMBLCHEMBL65976
DrugBank
ZINCZINC000000330548
PDB chain8p3n Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8p3n Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H62 G63 G102 I103
Binding residue
(residue number reindexed from 1)		H58 G59 G98 I99
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links
PDB RCSB:8p3n, PDBe:8p3n, PDBj:8p3n
PDBsum8p3n
PubMed
UniProtQ56310|CHEA_THEMA Chemotaxis protein CheA (Gene Name=cheA)

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