Magnesium in PDB 4pb4: D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid

All present enzymatic activity of D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid:
4.3.1.27;

The structure of D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid, PDB code: 4pb4 was solved by Y.Yasutake, Y.Matsumoto, M.Wada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.21 / 1.80
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.748, 157.748, 158.024, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.3

The binding sites of Magnesium atom in the D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid (pdb code 4pb4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid, PDB code: 4pb4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:25.8 occ:1.00 O A:HOH674 2.0 23.6 1.0 O A:HOH675 2.1 24.6 1.0 O A:HOH676 2.1 26.5 1.0 OD2 A:2KZ403 2.1 30.7 1.0 O A:HOH709 2.3 24.3 1.0 CG A:2KZ403 3.0 34.1 1.0 CB A:2KZ403 3.5 33.0 1.0 SG A:CYS353 3.5 20.4 1.0 O A:HOH652 3.6 21.6 1.0 NZ A:LYS43 3.8 23.4 1.0 OH A:TYR177 3.9 23.7 1.0 O A:2KZ403 3.9 25.5 1.0 O3P A:PLP401 4.0 17.4 1.0 CA A:2KZ403 4.0 27.4 1.0 CB A:CYS353 4.1 12.6 1.0 OD1 A:2KZ403 4.2 34.2 1.0 O A:HOH671 4.3 19.9 1.0 O A:HOH570 4.3 22.1 1.0 O A:HOH602 4.3 24.9 1.0 OE1 B:GLN319 4.3 15.8 1.0 O A:HOH710 4.3 35.6 1.0 C A:2KZ403 4.3 22.5 1.0 CE2 A:TYR177 4.4 22.8 1.0 CZ A:TYR177 4.4 24.7 1.0 O A:HOH619 4.5 26.0 1.0 CZ2 B:TRP280 4.9 15.6 1.0 O A:HOH639 5.0 20.7 1.0 N A:2KZ403 5.0 25.1 1.0

Magnesium binding site 2 out of 2 in the D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of D-Threo-3-Hydroxyaspartate Dehydratase H351A Mutant Complexed with 2- Amino Maleic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:25.1 occ:1.00 O B:HOH670 1.9 24.6 1.0 O B:HOH669 2.0 28.0 1.0 OD1 B:2KZ403 2.0 30.9 1.0 O B:HOH671 2.1 22.9 1.0 O B:HOH712 2.2 23.6 1.0 CG B:2KZ403 3.0 35.4 1.0 CB B:2KZ403 3.4 29.6 1.0 SG B:CYS353 3.5 20.6 1.0 O B:HOH629 3.6 20.9 1.0 NZ B:LYS43 3.7 20.8 1.0 OXT B:2KZ403 3.8 23.1 1.0 CA B:2KZ403 4.0 25.7 1.0 OH B:TYR177 4.0 25.8 1.0 O1P B:PLP401 4.0 15.6 1.0 CB B:CYS353 4.0 13.8 1.0 OD2 B:2KZ403 4.1 29.9 1.0 OE1 A:GLN319 4.2 14.6 1.0 O B:HOH713 4.2 39.8 1.0 O B:HOH657 4.3 24.4 1.0 C B:2KZ403 4.3 20.3 1.0 O B:HOH586 4.4 20.4 1.0 O B:HOH666 4.4 19.5 1.0 CE2 B:TYR177 4.5 25.5 1.0 CZ B:TYR177 4.6 26.8 1.0 O B:HOH604 4.7 25.1 1.0 CZ2 A:TRP280 4.8 14.2 1.0 N B:2KZ403 4.9 24.9 1.0 O B:HOH619 4.9 22.3 1.0

Y.Matsumoto, Y.Yasutake, Y.Takeda, T.Tamura, A.Yokota, M.Wada. Structure of D-Threo-3-Hydroxyaspartate Dehydratase To Be Published.