3NAY

PDK1 in complex with inhibitor MP6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	3-phosphoinositide-dependent protein kinase 1	polymer	311	36174.4	2	UniProt (O15530) Pfam (PF00069)	Homo sapiens (human)	hPDK1
2	C, D (A, B)	4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one	non-polymer		427.5	2	Chemie (MP6)
3	E, F (A, B)	water	water		18.0	149	Chemie (HOH)

Sequence modifications

A, B: 66 - 362 (UniProt: O15530)

PDB	External Database	Details
Met 52	-	expression tag
His 53	-	expression tag
His 54	-	expression tag
His 55	-	expression tag
His 56	-	expression tag
His 57	-	expression tag
His 58	-	expression tag
Glu 59	-	expression tag
Asn 60	-	expression tag
Leu 61	-	expression tag
Tyr 62	-	expression tag
Phe 63	-	expression tag
Gln 64	-	expression tag
Gly 65	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72348.9
Non-Polymers*	Number of molecules	2
	Total formula weight	855.1
All*	Total formula weight	73204.0

*Water molecules are not included.