Magnesium in PDB 6sch: Nadh-Dependent Variant of Cbadh

All present enzymatic activity of Nadh-Dependent Variant of Cbadh:
1.1.1.80;

The structure of Nadh-Dependent Variant of Cbadh, PDB code: 6sch was solved by L.Selles Vidal, J.W.Murray, J.T.Heap, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.01 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.812, 99.570, 114.089, 90.00, 102.77, 90.00
R / Rfree (%)	16.4 / 20.8

The structure of Nadh-Dependent Variant of Cbadh also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Magnesium atom in the Nadh-Dependent Variant of Cbadh (pdb code 6sch). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Nadh-Dependent Variant of Cbadh, PDB code: 6sch:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Nadh-Dependent Variant of Cbadh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Nadh-Dependent Variant of Cbadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:39.4 occ:1.00 O19 A:2PE402 2.2 48.2 1.0 C12 A:2PE402 2.4 45.0 1.0 O A:HOH518 2.4 40.9 1.0 O16 A:2PE402 2.5 48.5 1.0 O22 A:2PE402 2.7 44.3 1.0 C15 A:2PE402 2.8 38.3 1.0 C17 A:2PE402 3.0 37.3 1.0 C18 A:2PE402 3.1 38.4 1.0 C14 A:2PE402 3.2 42.5 1.0 O13 A:2PE402 3.2 47.8 1.0 C20 A:2PE402 3.3 29.9 1.0 C11 A:2PE402 3.4 51.9 1.0 C21 A:2PE402 3.4 38.5 1.0 O A:VAL320 3.9 40.0 1.0 O A:SER317 4.4 29.8 1.0 O10 A:2PE402 4.4 61.5 1.0 C9 A:2PE402 4.7 53.2 1.0

Magnesium binding site 2 out of 2 in the Nadh-Dependent Variant of Cbadh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Nadh-Dependent Variant of Cbadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:76.3 occ:1.00 O5B A:NAD401 2.9 0.6 0.8 N A:GLY244 3.2 44.6 1.0 C5B A:NAD401 3.6 99.3 0.8 CA A:GLY243 3.8 40.4 1.0 PA A:NAD401 3.9 0.1 0.8 O1A A:NAD401 4.0 0.6 0.8 O3 A:NAD401 4.0 0.4 0.8 O3D A:NAD401 4.0 87.8 0.8 C A:GLY243 4.1 41.8 1.0 O A:HOH548 4.1 73.2 1.0 CA A:GLY244 4.1 40.9 1.0 OD1 A:ASN266 4.3 46.0 1.0 O4B A:NAD401 4.4 93.8 0.8 O A:GLY244 4.4 44.9 1.0 C4B A:NAD401 4.5 95.0 0.8 C A:GLY244 4.5 45.9 1.0 ND2 A:ASN266 4.7 39.4 1.0 C8A A:NAD401 4.7 88.5 0.8 C3D A:NAD401 4.7 95.2 0.8 CG A:ASN266 4.9 40.1 1.0

L.Selles Vidal, J.W.Murray, J.T.Heap. Nadh-Dependent Variant of Cbadh To Be Published.