6S8L

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	451	50204.4	1	UniProt (P68363) Pfam (PF00091) Pfam (PF03953)	Homo sapiens (Human)	Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain
2	B (B)	Tubulin beta-3 chain	polymer	450	50481.5	1	UniProt (Q13509) Pfam (PF00091) Pfam (PF03953)	Homo sapiens (Human)	Tubulin beta-4 chain,Tubulin beta-III
3	C (F)	Designed ankyrin repeat protein (DARPIN) D1	polymer	157	16662.9	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, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	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	I, J, K (A, B, F)	water	water		18.0	787	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	117348.9
Non-Polymers*	Number of molecules	5
	Total formula weight	1351.4
All*	Total formula weight	118700.2

*Water molecules are not included.