5NJH

Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin

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)	Tubulin alpha-1B chain	polymer	450	50041.3	2	UniProt (P81947) Pfam (PF00091) Pfam (PF03953)	Bos taurus (Bovine)	Alpha-tubulin ubiquitous,Tubulin K-alpha-1,Tubulin alpha-ubiquitous chain
2	B, D (B, D)	Tubulin beta-2B chain	polymer	445	49999.9	2	UniProt (Q6B856) Pfam (PF00091) Pfam (PF03953)	Bos taurus (Bovine)
3	E (E)	Stathmin-4	polymer	143	16844.2	1	UniProt (P63043) Pfam (PF00836)	Rattus norvegicus (Rat)	Stathmin-like protein B3,RB3
4	F (F)	tubulin tyrosine ligase TTL	polymer	384	44378.5	1	UniProt (E1BQ43)	Gallus gallus (Chicken)
5	G, L (A, C)	GUANOSINE-5'-TRIPHOSPHATE	non-polymer		523.2	2	Chemie (GTP)
6	H, J, M, O, P (A, B, C, D, F)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
7	I, N (B, D)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	2	Chemie (GDP)
8	K (B)	5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine	non-polymer		423.8	1	Chemie (8Z8)
9	Q (F)	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	1	Chemie (ACP)
10	R, S, T, U, V... (A, B, C, D, E...)	water	water		18.0	361	Chemie (HOH)

Sequence modifications

E: 3 - 145 (UniProt: P63043)

PDB	External Database	Details
Met 3	Ile 47	conflict
Ala 4	Ser 48	conflict

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	261305.0
Non-Polymers*	Number of molecules	11
	Total formula weight	2983.3
All*	Total formula weight	264288.3

*Water molecules are not included.