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 | 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 | [[(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 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
4 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
6 | A, B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
7 | A, B | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
8 | B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
9 | B | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | non-polymer | 665.4 | 1 | Chemie (NAI) | |||
10 | 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 |
Sequence viewer
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 |