7PSQ

Crystal structure of S100A4 labeled with NU074381b.

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 (A, C, E, G)	Protein S100-A4	polymer	123	14313.2	4	UniProt (P26447) Pfam (PF01023)	Homo sapiens (Human)	Calvasculin,Metastasin,Placental calcium-binding protein,Protein Mts1,S100 calcium-binding protein A4
2	E, F, H, I, M... (A, C, E, G)	CALCIUM ION	non-polymer		40.1	9	Chemie (CA)
3	G, J, K (A, C)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	L, O (E, G)	(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide	non-polymer		358.4	2	Chemie (82Q)
5	S, T, U, V (A, C, E, G)	water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 100 (UniProt: P26447)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	57253.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1263.8
All*	Total formula weight	58516.8

*Water molecules are not included.