6I3U

Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016301	molecular_function	kinase activity
A	0016303	molecular_function	1-phosphatidylinositol-3-kinase activity
A	0046854	biological_process	phosphatidylinositol phosphate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue H2E A 901

Chain	Residue
A	LYS613
A	ILE761
A	HOH1011
A	HOH1020
A	HOH1046
A	HOH1090
A	SER614
A	LYS636
A	LEU682
A	GLN683
A	TRP684
A	ILE685
A	SER688
A	PRO690

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Functional Information from PROSITE/UniProt

site_id	PS00915
Number of Residues	15
Details	PI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKhg.DDLRQDqlilQ

Chain	Residue	Details
A	PHE635-GLN649

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site_id	PS00916
Number of Residues	21
Details	PI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVitYILgVgDRHldN

Chain	Residue	Details
A	SER729-ASN749

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Region: {"description":"G-loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	8
Details	Region: {"description":"Catalytic loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	21
Details	Region: {"description":"Activation loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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