6Z5A

Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941

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	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	A	N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide	non-polymer		521.6	1	Chemie (Q8B)
7		water	water		18.0	509	Chemie (HOH)

Sequence modifications

A: 465 - 798 (UniProt: Q8TF76)

PDB	External Database	Details
Met -22	-	initiating methionine
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	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	973.1
All*	Total formula weight	41684.5

*Water molecules are not included.