Magnesium in PDB 5e4r: Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd

All present enzymatic activity of Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd:
1.1.1.86;

The structure of Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd, PDB code: 5e4r was solved by J.K.B.Cahn, S.Brinkmann-Chen, A.R.Buller, F.H.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	103.88 / 1.94
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	103.882, 103.882, 142.074, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18

The binding sites of Magnesium atom in the Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd (pdb code 5e4r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd, PDB code: 5e4r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:16.4 occ:1.00 O11 A:40E504 2.0 17.4 1.0 O A:HOH683 2.0 19.6 1.0 OD2 A:ASP191 2.1 19.2 1.0 O2 A:40E504 2.1 17.7 1.0 OE1 A:GLU195 2.1 17.4 1.0 O A:HOH775 2.1 19.3 1.0 C2 A:40E504 2.6 21.1 1.0 C1 A:40E504 2.7 19.4 1.0 CG A:ASP191 3.1 16.4 1.0 CD A:GLU195 3.1 17.5 1.0 OD1 A:ASP191 3.4 20.1 1.0 OE2 A:GLU195 3.4 18.0 1.0 MG A:MG503 3.7 20.8 1.0 N3 A:40E504 3.9 27.5 1.0 O A:HOH638 3.9 23.1 1.0 O12 A:40E504 4.0 19.4 1.0 OG A:SER399 4.1 19.3 1.0 O A:HOH615 4.4 18.6 1.0 CB A:ASP191 4.4 16.7 1.0 CG A:GLU195 4.5 19.4 1.0 O A:HOH675 4.5 21.7 1.0 NE2 A:HIS108 4.5 23.5 1.0 O2D A:NAP501 4.5 20.0 1.0 CE1 A:HIS108 4.5 22.2 1.0 O A:ASP191 4.6 15.6 1.0 CD2 A:HIS108 4.7 22.1 1.0 CB A:ALA402 4.7 18.6 1.0 ND1 A:HIS108 4.7 22.8 1.0 C A:ASP191 4.8 17.1 1.0 CG A:HIS108 4.8 20.5 1.0 CB A:GLU195 4.8 17.9 1.0 C4 A:40E504 4.9 28.5 1.0 N1N A:NAP501 5.0 20.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Domain-Duplicated Synthetic Class II Ketol-Acid Reductoisomerase 2IA_KARI-Dd within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:20.8 occ:1.00 O2 A:40E504 2.0 17.7 1.0 OD1 A:ASP191 2.0 20.1 1.0 O A:HOH627 2.0 26.7 1.0 O A:HOH675 2.0 21.7 1.0 O A:HOH601 2.3 38.2 1.0 O A:HOH638 2.3 23.1 1.0 C2 A:40E504 2.8 21.1 1.0 N3 A:40E504 3.0 27.5 1.0 CG A:ASP191 3.1 16.4 1.0 OD2 A:ASP191 3.5 19.2 1.0 MG A:MG502 3.7 16.4 1.0 NZ A:LYS131 3.8 28.7 1.0 OE1 A:GLU378 3.9 24.2 1.0 OE1 A:GLU374 4.1 33.5 1.0 OE2 A:GLU378 4.1 27.0 1.0 O A:HOH615 4.2 18.6 1.0 OE2 A:GLU374 4.2 29.5 1.0 OE1 A:GLU195 4.2 17.4 1.0 C1 A:40E504 4.2 19.4 1.0 CB A:ASP191 4.3 16.7 1.0 O A:HOH775 4.3 19.3 1.0 C4 A:40E504 4.4 28.5 1.0 CD A:GLU378 4.5 23.7 1.0 O A:PRO130 4.5 15.7 1.0 C5N A:NAP501 4.6 22.4 1.0 CE A:LYS131 4.6 26.9 1.0 CD A:GLU374 4.6 33.6 1.0 C4N A:NAP501 4.7 24.0 1.0 CA A:ASP191 4.7 15.8 1.0 O11 A:40E504 4.7 17.4 1.0 O A:ASP191 4.8 15.6 1.0 C41 A:40E504 4.9 28.4 1.0 CD A:LYS131 4.9 22.0 1.0 C42 A:40E504 4.9 31.4 1.0

J.K.Cahn, S.Brinkmann-Chen, A.R.Buller, F.H.Arnold. Artificial Domain Duplication Replicates Evolutionary History of Ketol-Acid Reductoisomerases. Protein Sci. V. 25 1241 2016.
ISSN: ESSN 1469-896X
PubMed: 26644020
DOI: 10.1002/PRO.2852