8R9O

A soakable crystal form of human CDK7 in complex with AMP-PNP

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)	Cyclin-dependent kinase 7	polymer	371	42235.6	2	UniProt (P50613) Pfam (PF00069)	Homo sapiens (human)
2	C, D (A, B)	~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide	non-polymer		517.6	2	Chemie (YN3)
3	E, F (A, B)	water	water		18.0	139	Chemie (HOH)

Sequence modifications

A, B: 1 - 346 (UniProt: P50613)

PDB	External Database	Details
Met -24	-	initiating methionine
Ser -23	-	expression tag
Tyr -22	-	expression tag
Tyr -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
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Arg 132	Trp 132	engineered mutation
Asp 164	Ser 164	engineered mutation
Glu 170	Thr 170	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84471.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1035.2
All*	Total formula weight	85506.5

*Water molecules are not included.