3F2N

Crystal Structure of Human Haspin with an Imidazo-pyridazine ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein kinase haspin	polymer	357	40711.5	1	UniProt (Q8TF76) Pfam (PF12330)	Homo sapiens (Human)	GSG2, Haploid germ cell-specific nuclear protein kinase, H-haspin, Germ cell-specific gene 2 protein
2	B (A)	(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol	non-polymer		311.4	1	Chemie (IZZ)
3	C (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	D, E, F, G, H (A)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	I (A)	water	water		18.0	323	Chemie (HOH)

Sequence modifications

A: 465 - 798 (UniProt: Q8TF76)

PDB	External Database	Details
Met 442	-	initiating methionine
His 443	-	expression tag
His 444	-	expression tag
His 445	-	expression tag
His 446	-	expression tag
His 447	-	expression tag
His 448	-	expression tag
Ser 449	-	expression tag
Ser 450	-	expression tag
Gly 451	-	expression tag
Val 452	-	expression tag
Asp 453	-	expression tag
Leu 454	-	expression tag
Gly 455	-	expression tag
Thr 456	-	expression tag
Glu 457	-	expression tag
Asn 458	-	expression tag
Leu 459	-	expression tag
Tyr 460	-	expression tag
Phe 461	-	expression tag
Gln 462	-	expression tag
Ser 463	-	expression tag
Met 464	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40711.5
Non-Polymers*	Number of molecules	7
	Total formula weight	716.7
All*	Total formula weight	41428.2

*Water molecules are not included.