7OCN

Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD 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	HAD hydrolase, family IA, variant 3	polymer	727	83548.3	2	UniProt (D0C7J2) Pfam (PF13419) Pfam (PF08125) In PDB	Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / CIP 70.34 / JCM 6841 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81)
2	A, B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
6	A	BROMIDE ION	non-polymer		79.9	1	Chemie (BR)
7	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
8		water	water		18.0	67	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 1	-	initiating methionine
Val 2	-	expression tag
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	2
	Total formula weight	167096.5
Non-Polymers*	Number of molecules	15
	Total formula weight	1041.3
All*	Total formula weight	168137.8

*Water molecules are not included.