4FP1

P. putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl) propionic acid

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)	Mandelate racemase	polymer	383	41304.6	2	UniProt (P11444) Pfam (PF02746) Pfam (PF13378)	Pseudomonas putida	MR
2	C, E (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, F (A, B)	3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid	non-polymer		212.0	2	Chemie (BFM)
4	G, H (A, B)	water	water		18.0	445	Chemie (HOH)

Sequence modifications

A, B: 1 - 359 (UniProt: P11444)

PDB	External Database	Details
Met -23	-	expression tag
Ala -22	-	expression tag
Ser -21	-	expression tag
Trp -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
Pro -17	-	expression tag
Gln -16	-	expression tag
Phe -15	-	expression tag
Glu -14	-	expression tag
Lys -13	-	expression tag
Gly -12	-	expression tag
Ala -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Tyr -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82609.2
Non-Polymers*	Number of molecules	4
	Total formula weight	472.7
All*	Total formula weight	83081.9

*Water molecules are not included.