7MQX

P. putida mandelate racemase forms an oxobenzoxaborole adduct with 2-formylphenylboronic 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, C, D, E...	Mandelate racemase	polymer	383	41304.6	8	UniProt (P11444) Pfam (PF02746) Pfam (PF13378) In PDB	Pseudomonas putida	MR
2	E, F, A, G, B...	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
3	E, F, A, G, B...	(3S)-2,1-benzoxaborole-1,3(3H)-diol	non-polymer		149.9	8	Chemie (ZMD)
4	D, E, F, A, G...	1,2-ETHANEDIOL	non-polymer		62.1	24	Chemie (EDO)
5		water	water		18.0	2153	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 359 (UniProt: P11444)

PDB	External Database	Details
Met -23	-	initiating methionine
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	8
	Total formula weight	330437.0
Non-Polymers*	Number of molecules	40
	Total formula weight	2883.6
All*	Total formula weight	333320.6

*Water molecules are not included.