4AAA

Crystal structure of the human CDKL2 kinase domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CYCLIN-DEPENDENT KINASE-LIKE 2	polymer	331	38390.5	1	UniProt (Q92772) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	PROTEIN KINASE P56 KKIAMRE, SERINE/THREONINE-PROTEIN KINASE KKIAMRE
2	B (A)	5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE	non-polymer		425.4	1	Chemie (DKI)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	I (A)	water	water		18.0	259	Chemie (HOH)

Sequence modifications

A: 1 - 308 (UniProt: Q92772)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Asp 159	Thr 159	engineered mutation
Glu 161	Tyr 161	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38390.5
Non-Polymers*	Number of molecules	7
	Total formula weight	797.8
All*	Total formula weight	39188.3

*Water molecules are not included.