3KO0

Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Protein S100-A4	polymer	101	11745.5	20	UniProt (P26447) Pfam (PF01023)	Homo sapiens (human)	S100 calcium-binding protein A4, Metastasin, Protein Mts1, Placental calcium-binding protein, Calvasculin
2	AA, AB, AC, BA, BC... (B, I, O, C, P...)	10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE	non-polymer		407.5	40	Chemie (TFP)
3	BB, CB, DA, DC, EA... (I, C, P, J, D...)	CALCIUM ION	non-polymer		40.1	40	Chemie (CA)
4	AD, BD, CD, DD, ED... (E, F, G, H, I...)	water	water		18.0	910	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	20
	Total formula weight	234910.8
Non-Polymers*	Number of molecules	80
	Total formula weight	17903.0
All*	Total formula weight	252813.7

*Water molecules are not included.