7OCS

Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii

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	HAD hydrolase, family IA, variant 3	polymer	727	83504.3	4	UniProt (D0C7J2) Pfam (PF13419) Pfam (PF08125) In PDB	Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841
2	A, C	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	B, A, D	1,2-ETHANEDIOL	non-polymer		62.1	13	Chemie (EDO)
4	A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
5	C, A	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	A, D	BETA-MERCAPTOETHANOL	non-polymer		78.1	2	Chemie (BME)
7	D, B, A, C	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
8	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
9	B, C, A	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
10	D, B, C, A	D-Mannitol-1-phosphate	non-polymer		262.2	4	Chemie (44H)
11	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
12	B, C	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
13	C	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
14		water	water		18.0	572	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 716 (UniProt: D0C7J2)

PDB	External Database	Details
Met 1	-	initiating methionine
Val 2	-	expression tag
Ala 16	Asp 15	engineered mutation
Ala 717	-	expression tag
Ala 718	-	expression tag
Ala 719	-	expression tag
Leu 720	-	expression tag
Glu 721	-	expression tag
His 722	-	expression tag
His 723	-	expression tag
His 724	-	expression tag
His 725	-	expression tag
His 726	-	expression tag
His 727	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	334017.0
Non-Polymers*	Number of molecules	50
	Total formula weight	4567.5
All*	Total formula weight	338584.5

*Water molecules are not included.