7PSP

Crystal structure of S100A4 labeled with NU000846b.

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	123	14313.2	2	UniProt (P26447) Pfam (PF01023)	Homo sapiens (Human)	Calvasculin,Metastasin,Placental calcium-binding protein,Protein Mts1,S100 calcium-binding protein A4
2	C, F (A, B)	(2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide	non-polymer		377.3	2	Chemie (85Q)
3	D, E, G, H (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	I (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	28626.5
Non-Polymers*	Number of molecules	6
	Total formula weight	914.8
All*	Total formula weight	29541.3

*Water molecules are not included.