7OCQ

NADH bound to the dehydrogenase domain 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 (A, B)	HAD hydrolase, family IA, variant 3	polymer	727	83548.3	2	UniProt (D0C7J2) Pfam (PF13419) Pfam (PF08125)	Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / CIP 70.34 / JCM 6841 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81)
2	C (A)	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		548.3	1	Chemie (V8H)
3	D, P (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, Q, R (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	H, S (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	I, J, K, L, T... (A, B)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
8	M, N (B)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
9	O (B)	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	1	Chemie (NAI)
10	W, X (A, B)	water	water		18.0	42	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	20
	Total formula weight	2583.7
All*	Total formula weight	169680.2

*Water molecules are not included.