4K1W

Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate

Replaces:  3R4E

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/muconate lactonizing enzyme, N-terminal domain protein	polymer	418	47132.4	4	UniProt (A4XF23) Pfam (PF02746) Pfam (PF13378)	Novosphingobium aromaticivorans
2	E, K, N, P, W (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
3	F, L, Q, X (A, B, C, D)	D-MANNONIC ACID	non-polymer		196.2	4	Chemie (CS2)
4	G, M, R, Y (A, B, C, D)	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
5	H, I, S, T, Z (A, C, D)	CARBON DIOXIDE	non-polymer		44.0	5	Chemie (CO2)
6	AA, J, O, V (D, A, B, C)	1,3-PROPANDIOL	non-polymer		76.1	4	Chemie (PDO)
7	U (C)	CARBONATE ION	non-polymer		60.0	1	Chemie (CO3)
8	BA, CA, DA, EA (A, B, C, D)	water	water		18.0	1003	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 402 (UniProt: A4XF23)

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Pro 314	Ala 314	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	188529.6
Non-Polymers*	Number of molecules	23
	Total formula weight	2091.3
All*	Total formula weight	190620.9

*Water molecules are not included.