8R9B

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, C, D (A, B, C, D)	Cyclin-dependent kinase 7	polymer	352	40064.0	4	UniProt (P50613) Pfam (PF00069)	Homo sapiens (human)
2	E, H, K, M (A, B, C, D)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	4	Chemie (ANP)
3	F, I, N (A, B, D)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	G, J, L (B, C, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	360	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 326 (UniProt: P50613)

PDB	External Database	Details
Ile -25	-	expression tag
Met -24	-	expression tag
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
Asp 164	Ser 164	engineered mutation
Glu 170	Thr 170	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	160256.0
Non-Polymers*	Number of molecules	10
	Total formula weight	2374.0
All*	Total formula weight	162629.9

*Water molecules are not included.