6Z57

Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004078

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Serine/threonine-protein kinase haspin	polymer	357	40711.5	1	UniProt (Q8TF76) Pfam (PF12330) In PDB	Homo sapiens (Human)	Germ cell-specific gene 2 protein,H-haspin,Haploid germ cell-specific nuclear protein kinase
2	A	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene	non-polymer		406.5	1	Chemie (Q8W)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	A	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
5	A	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	1	Chemie (MRD)
6	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
7		water	water		18.0	378	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	6
	Total formula weight	862.1
All*	Total formula weight	41573.6

*Water molecules are not included.