3MY1

Structure of CDK9/cyclinT1 in complex with DRB

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cell division protein kinase 9	polymer	331	38054.1	1	UniProt (P50750) Pfam (PF00069)	Homo sapiens (human)	Cyclin-dependent kinase 9, Serine/threonine-protein kinase PITALRE, Cell division cycle 2-like protein kinase 4, C-2K
2	B (B)	Cyclin-T1	polymer	260	30119.4	1	UniProt (O60563) Pfam (PF00134) Pfam (PF21797)	Homo sapiens (human)	Cyclin-T, CycT1
3	C (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4) PubChem (1061)
4	D, F, G, H, I (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL) PubChem (753)
5	E (A)	5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole	non-polymer		319.1	1	Chemie (RFZ) PubChem (3165) PubChem (5894) PubChem (23806119) PubChem (44461819) PubChem (513120) PubChem (513122) PubChem (513124) PubChem (513127) PubChem (54470097) PubChem (54470098) PubChem (3058094) PubChem (59910845) PubChem (67565995) PubChem (67566412) PubChem (67566435) PubChem (6610267) PubChem (6919070) PubChem (6919124) PubChem (7045516) PubChem (7059513) PubChem (133688090) PubChem (139593366) PubChem (141940953) PubChem (162472549) PubChem (164627382) PubChem (166738643) PubChem (171699291)
6	J, K (A, B)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

A: 2 - 330 (UniProt: P50750)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag

B: 2 - 259 (UniProt: O60563)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag
Arg 77	Gln 77	engineered mutation
Gly 96	Glu 96	engineered mutation
Leu 241	Phe 241	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68173.5
Non-Polymers*	Number of molecules	7
	Total formula weight	874.6
All*	Total formula weight	69048.1

*Water molecules are not included.