4GME

Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Mandelate racemase/muconate lactonizing enzyme family	polymer	426	47470.9	2	UniProt (Q9AAR4) Pfam (PF02746) Pfam (PF13378) In PDB	Caulobacter crescentus
2	A, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A, C	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	CARBONATE ION	non-polymer		60.0	1	Chemie (CO3)
6	C	D-MANNONIC ACID	non-polymer		196.2	1	Chemie (CS2)
7		water	water		18.0	507	Chemie (HOH)

Sequence modifications

A, C: 24 - 426 (UniProt: Q9AAR4)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94941.9
Non-Polymers*	Number of molecules	7
	Total formula weight	467.8
All*	Total formula weight	95409.6

*Water molecules are not included.