2XH5

Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB

Replaces:  2X37

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	RAC-BETA SERINE/THREONINE-PROTEIN KINASE	polymer	342	39860.4	1	UniProt (P31751) Pfam (PF00069) Pfam (PF00433)	HOMO SAPIENS (HUMAN)	RAC-PK-BETA, PROTEIN KINASE AKT-2, PROTEIN KINASE B\,BETA, PKB BETA
2	B (C)	GLYCOGEN SYNTHASE KINASE-3 BETA	polymer	10	1123.2	1	UniProt (P49841)	HOMO SAPIENS	GSK-3 BETA, GSK-3 BETA
3	C (A)	4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium	non-polymer		364.5	1	Chemie (X37)
4	D, E (A, C)	water	water		18.0	44	Chemie (HOH)

Sequence modifications

A: 146 - 479 (UniProt: P31751)

PDB	External Database	Details
Gly 141	-	expression tag
Ala 142	-	expression tag
Met 143	-	expression tag
Asp 144	-	expression tag
Pro 145	-	expression tag
Arg 464	-	insertion
Glu 465	-	insertion
Glu 466	-	insertion
Gln 467	Arg 467	engineered mutation
Glu 468	Thr 468	engineered mutation
Met 469	His 469	engineered mutation
Glu 471	Pro 471	engineered mutation
Asp 472	Gln 472	engineered mutation
Asp 474	Ser 474	engineered mutation
Ile 476	Ser 476	engineered mutation
Asp 478	Ser 478	engineered mutation
Trp 479	Ile 479	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40983.6
Non-Polymers*	Number of molecules	1
	Total formula weight	364.5
All*	Total formula weight	41348.1

*Water molecules are not included.