6YKG

Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (AAA)	Phosphatidylinositol 3-kinase catalytic subunit type 3	polymer	636	72592.8	1	UniProt (Q8NEB9) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (Human)	PtdIns-3-kinase type 3,Phosphatidylinositol 3-kinase p100 subunit,Phosphoinositide-3-kinase class 3,hVps34
2	B (AAA)	4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one	non-polymer		339.4	1	Chemie (OZ8)
3	C (AAA)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

AAA: 268 - 880 (UniProt: Q8NEB9)

PDB	External Database	Details
Met 245	-	initiating methionine
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
Ser 252	-	expression tag
Ser 253	-	expression tag
Gly 254	-	expression tag
Val 255	-	expression tag
Asp 256	-	expression tag
Leu 257	-	expression tag
Gly 258	-	expression tag
Thr 259	-	expression tag
Glu 260	-	expression tag
Asn 261	-	expression tag
Leu 262	-	expression tag
Tyr 263	-	expression tag
Phe 264	-	expression tag
Gln 265	-	expression tag
Ser 266	-	expression tag
Met 267	-	expression tag
Ala 612	Phe 612	conflict
Asn 616	Leu 616	conflict
Leu 634	Ile 634	conflict
Leu 682	Met 682	conflict
Trp 684	Phe 684	conflict
Gly 687	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	72592.8
Non-Polymers*	Number of molecules	1
	Total formula weight	339.4
All*	Total formula weight	72932.2

*Water molecules are not included.