3UXL

P. putida mandelate racemase co-crystallized with the intermediate analogue cupferron

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, B, C, D)	Mandelate racemase	polymer	383	41304.6	4	UniProt (P11444) Pfam (PF02746) Pfam (PF13378)	Pseudomonas putida	MR
2	E, G, I, K (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	F, H, J, L (A, B, C, D)	1-hydroxy-2-oxo-1-phenylhydrazine	non-polymer		138.1	4	Chemie (CFI)
4	M, N, O, P (A, B, C, D)	water	water		18.0	562	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	165218.5
Non-Polymers*	Number of molecules	8
	Total formula weight	649.7
All*	Total formula weight	165868.2

*Water molecules are not included.