6YM3

Crystal structure of Compound 1 with PIP4K2A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha	polymer	394	45313.0	2	UniProt (P48426) Pfam (PF01504) In PDB	Homo sapiens (Human)	1-phosphatidylinositol 5-phosphate 4-kinase 2-alpha,Diphosphoinositide kinase 2-alpha,PIP5KIII,Phosphatidylinositol 5-phosphate 4-kinase type II alpha,PIP4KII-alpha,PtdIns(4)P-5-kinase B isoform,PtdIns(4)P-5-kinase C isoform,PtdIns(5)P-4-kinase isoform 2-alpha
2	A, B	(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid	non-polymer		440.5	2	Chemie (OYZ)
3	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4		water	water		18.0	146	Chemie (HOH)

Sequence modifications

A, B: 35 - 405 (UniProt: P48426)

PDB	External Database	Details
Met 12	-	initiating methionine
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Ser 19	-	expression tag
Ser 20	-	expression tag
Gly 21	-	expression tag
Val 22	-	expression tag
Asp 23	-	expression tag
Leu 24	-	expression tag
Gly 25	-	expression tag
Thr 26	-	expression tag
Glu 27	-	expression tag
Asn 28	-	expression tag
Leu 29	-	expression tag
Tyr 30	-	expression tag
Phe 31	-	expression tag
Gln 32	-	expression tag
Ser 33	-	expression tag
Met 34	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90626.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1070.9
All*	Total formula weight	91696.9

*Water molecules are not included.