9CSK

Crystal structure of CDK4 cyclin D1 in complex with atirmociclib

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	G1/S-specific cyclin-D1	polymer	257	29276.3	2	UniProt (P24385) Pfam (PF00134) Pfam (PF02984)	Homo sapiens (human)	B-cell lymphoma 1 protein,BCL-1,BCL-1 oncogene,PRAD1 oncogene
2	B, D (B, D)	Cyclin-dependent kinase 4	polymer	314	35539.7	2	UniProt (P11802) Pfam (PF00069)	Homo sapiens (human)	Cell division protein kinase 4,PSK-J3
3	E, F (B, D)	Atirmociclib	non-polymer		463.9	2	Chemie (A1AZ4)
4	G, H, I, J (A, B, C, D)	water	water		18.0	328	Chemie (HOH)

Sequence modifications

A, C: 16 - 271 (UniProt: P24385)

PDB	External Database	Details
Met 15	-	initiating methionine

B, D: 1 - 303 (UniProt: P11802)

PDB	External Database	Details
Glu 43	Gly 43	engineered mutation
Glu 44	Gly 44	engineered mutation
-	Gly 46	deletion
-	Gly 47	deletion
-	Gly 48	deletion
Leu 304	-	expression tag
Glu 305	-	expression tag
Asn 306	-	expression tag
Leu 307	-	expression tag
Tyr 308	-	expression tag
Phe 309	-	expression tag
Gln 310	-	expression tag
Gly 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	129632.0
Non-Polymers*	Number of molecules	2
	Total formula weight	927.9
All*	Total formula weight	130559.9

*Water molecules are not included.