Manganese in PDB 8jdx: Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid

All present enzymatic activity of Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid:
1.1.2.4;

The structure of Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid, PDB code: 8jdx was solved by S.Jin, X.Chen, J.Yang, J.Ding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.70 / 1.79
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.84, 102.26, 123.17, 90, 90, 90
R / Rfree (%)	17 / 19.1

The binding sites of Manganese atom in the Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid (pdb code 8jdx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid, PDB code: 8jdx:

Manganese binding site 1 out of 1 in the Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mldhd in Complex with 2-Ketoisovaleric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn502 b:18.9 occ:0.47 OE2 A:GLU442 2.1 22.6 1.0 O2 A:KIV503 2.2 22.4 1.0 NE2 A:HIS405 2.4 24.5 1.0 NE2 A:HIS398 2.4 24.2 1.0 O3 A:KIV503 2.5 23.5 1.0 O4 A:FAD501 2.7 24.0 1.0 C1 A:KIV503 3.0 25.7 1.0 C4 A:FAD501 3.1 22.1 1.0 C2 A:KIV503 3.1 27.0 1.0 CD A:GLU442 3.2 24.3 1.0 CD2 A:HIS398 3.3 23.0 1.0 CE1 A:HIS405 3.3 25.2 1.0 CE1 A:HIS398 3.3 24.5 1.0 CD2 A:HIS405 3.3 24.6 1.0 N3 A:FAD501 3.5 21.4 1.0 OE1 A:GLU442 3.7 24.1 1.0 C4X A:FAD501 3.9 22.8 1.0 NE2 A:HIS443 4.1 22.2 1.0 O1 A:KIV503 4.1 28.9 1.0 NH2 A:ARG347 4.2 23.6 1.0 N5 A:FAD501 4.3 24.7 1.0 O A:HOH779 4.3 23.2 1.0 CG A:HIS398 4.4 22.0 1.0 ND1 A:HIS398 4.4 21.2 1.0 ND1 A:HIS405 4.4 24.0 1.0 O A:HOH633 4.4 25.3 1.0 CG A:HIS405 4.5 23.9 1.0 C2 A:FAD501 4.5 19.8 1.0 CG A:GLU442 4.5 19.6 1.0 C3 A:KIV503 4.6 26.4 1.0 C10 A:FAD501 4.8 20.6 1.0 CE1 A:HIS443 4.8 21.7 1.0 CD2 A:HIS443 4.9 20.4 1.0

S.Jin, X.Chen, J.Yang, J.Ding. Lactate Dehydrogenase D Is A General Dehydrogenase For D-2-Hydroxyacids Containing Hydrophobic Moieties and Plays An Important Role in the Pathogenesis of D-Lactic Acidosis To Be Published.