3TTE

Crystal structure of enolase brado_4202 (target EFI-501651) from Bradyrhizobium complexed with magnesium and mandelic 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	Mandelate racemase/muconate lactonizing enzyme	polymer	383	41165.1	2	UniProt (A4YVM8) Pfam (PF02746) Pfam (PF13378) In PDB	Bradyrhizobium sp. ORS 278
2	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A	(S)-MANDELIC ACID	non-polymer		152.1	1	Chemie (SMN)
4	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	B	FORMIC ACID	non-polymer		46.0	1	Chemie (FMT)
6		water	water		18.0	258	Chemie (HOH)

Sequence modifications

A, B: 1 - 360 (UniProt: A4YVM8)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82330.1
Non-Polymers*	Number of molecules	7
	Total formula weight	523.1
All*	Total formula weight	82853.2

*Water molecules are not included.