4YJ3

Crystal structure of tubulin bound to compound 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Tubulin alpha-1B chain	polymer	451	50204.4	2	UniProt (P81947) Pfam (PF00091) Pfam (PF03953) In PDB	Bos taurus (Bovine)	Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain
2	B, D	Tubulin beta-2B chain	polymer	445	49999.9	2	UniProt (Q6B856) Pfam (PF00091) Pfam (PF03953) In PDB	Bos taurus (Bovine)
3	E	Stathmin-4	polymer	143	16883.2	1	UniProt (P63043) Pfam (PF00836) In PDB	Rattus norvegicus (Rat)	Stathmin-like protein B3,RB3
4	F	Tubulin-tyrosine ligase	polymer	384	44378.5	1	UniProt (E1BQ43) In PDB	Gallus gallus (Chicken)
5	A, B, C, D	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	A, C	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)
7	A, B, C	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
8	B, D	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
9	B, D	6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine	non-polymer		366.4	2	Chemie (4EE)
10	B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
11	C	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
12		water	water		18.0	16	Chemie (HOH)

Sequence modifications

E: 5 - 145 (UniProt: P63043)

PDB	External Database	Details
Met 3	-	initiating methionine
Ala 4	-	expression tag
Trp 20	Phe 91	engineered mutation

F: 1 - 378 (UniProt: E1BQ43)

PDB	External Database	Details
His 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	261670.4
Non-Polymers*	Number of molecules	15
	Total formula weight	3147.4
All*	Total formula weight	264817.8

*Water molecules are not included.