6S8K

Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tubulin alpha-1B chain	polymer	437	48665.0	1	UniProt (P81947) Pfam (PF00091) Pfam (PF03953)	Bos taurus (Bovine)	Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain
2	B (B)	Tubulin beta-2B chain	polymer	445	49999.9	1	UniProt (Q6B856) Pfam (PF00091) Pfam (PF03953)	Bos taurus (Bovine)
3	C (F)	Designed ankyrin repeat protein (DARPIN) D1	polymer	155	16435.6	1		synthetic construct
4	D (A)	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	1	Chemie (GTP) PubChem (177679032) PubChem (135400627) PubChem (135487750) PubChem (136088935) PubChem (136803486) PubChem (135398633) PubChem (135544356) PubChem (135547949) PubChem (135600366) PubChem (135749822) PubChem (136005188) PubChem (136073923) PubChem (136240914) PubChem (136664747) PubChem (136772743) PubChem (136772744) PubChem (136803487) PubChem (137286749) PubChem (164715984) PubChem (171699466)
5	E (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
6	F (B)	(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione	non-polymer		336.4	1	Chemie (PN6)
7	G (B)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
8	H, I, J (A, B, F)	water	water		18.0	870	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	115100.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1327.1
All*	Total formula weight	116427.6

*Water molecules are not included.