3ZWH

Ca2+-bound S100A4 C3S, C81S, C86S and F45W mutant complexed with myosin IIA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	PROTEIN S100-A4	polymer	104	12018.7	2	UniProt (P26447) Pfam (PF01023)	HOMO SAPIENS (HUMAN)	CALVASCULIN, METASTASIN, PLACENTAL CALCIUM-BINDING PROTEIN, PROTEIN MTS1, S100 CALCIUM-BINDING PROTEIN A4, S100A4
2	C (Q)	MYOSIN-9	polymer	45	5358.2	1	UniProt (P35579)	HOMO SAPIENS (HUMAN)	CELLULAR MYOSIN HEAVY CHAIN\,TYPE A, MYOSIN HEAVY CHAIN 9, MYOSIN HEAVY CHAIN\,NON-MUSCLE IIA, NON-MUSCLE MYOSIN HEAVY CHAIN A, NMMHC-A, NON-MUSCLE MYOSIN HEAVY CHAIN IIA, NMMHC II-A, NMMHC-IIA
3	D, E, H, I (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	F, G (A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	J, K (B, Q)	AZIDE ION	non-polymer		42.0	2	Chemie (AZI)
6	L, M, N (A, B, Q)	water	water		18.0	201	Chemie (HOH)

Sequence modifications

A, B: 1 - 101 (UniProt: P26447)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 3	Cys 3	engineered mutation
Trp 45	Phe 45	engineered mutation
Ser 81	Cys 81	engineered mutation
Ser 86	Cys 86	engineered mutation

Q: 1893 - 1937 (UniProt: P35579)

PDB	External Database	Details
Tyr 1893	Arg 1893	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	29395.5
Non-Polymers*	Number of molecules	8
	Total formula weight	362.4
All*	Total formula weight	29758.0

*Water molecules are not included.