4QTC

Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode

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)	Germ cell-specific gene 2 protein, H-haspin, Haploid germ cell-specific nuclear protein kinase
2	B (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
3	C, D (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E (A)	(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide	non-polymer		587.7	1	Chemie (38Z)
5	F (A)	water	water		18.0	500	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	4
	Total formula weight	890.0
All*	Total formula weight	41601.5

*Water molecules are not included.