Magnesium in PDB 6zvg: Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid

The structure of Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid, PDB code: 6zvg was solved by J.Rum, M.Rutkiewicz, A.Pruska, A.Bujacz, A.J.Pietrzyk-Brzezinska, G.Bujacz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.10 / 2.59
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.267, 82.286, 98.208, 90, 106.42, 90
R / Rfree (%)	19.1 / 24.7

The binding sites of Magnesium atom in the Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid (pdb code 6zvg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid, PDB code: 6zvg:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:65.9 occ:1.00 O C:HOH517 2.2 65.7 1.0 O A:HOH529 2.2 65.2 1.0 O3 A:NO3403 2.9 56.3 1.0 O A:HOH530 3.9 46.6 1.0 OD1 A:ASP295 4.2 55.0 1.0 OD2 A:ASP295 4.2 56.6 1.0 N A:NO3403 4.3 54.0 1.0 CG A:ASP295 4.4 54.1 1.0 OD1 C:ASP295 4.7 53.2 1.0 OD2 C:ASP295 4.8 53.2 1.0

Magnesium binding site 2 out of 3 in the Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:59.5 occ:1.00 O B:HOH524 2.2 58.5 1.0 O B:HOH520 2.2 58.2 1.0 O A:HOH527 2.2 53.8 1.0 O A:HOH503 2.2 56.1 1.0 OE2 A:GLU112 3.1 72.1 1.0 OE1 B:GLU112 3.4 78.7 1.0 OE1 A:GLU112 3.7 74.4 1.0 CD A:GLU112 3.8 71.1 1.0 O B:GLY139 3.9 74.1 1.0 O A:GLY139 4.1 67.7 1.0 CD B:GLU112 4.3 76.0 1.0 OE2 B:GLU112 4.3 78.7 1.0 CA A:CYS140 4.4 71.1 1.0 O A:CYS140 4.6 76.7 1.0 NZ A:LYS108 4.7 61.6 1.0 CA B:CYS140 4.7 73.6 1.0 C A:CYS140 4.7 75.4 1.0 NZ B:LYS108 4.9 56.6 1.0 C B:GLY139 5.0 73.3 1.0

Magnesium binding site 3 out of 3 in the Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Psychrophilic Aromatic Amino Acids Aminotransferase From Psychrobacter Sp. B6 Cocrystalized with Substrate Analog - L-Indole-3-Lactic Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:66.6 occ:1.00 O C:HOH504 2.2 67.8 1.0 O D:HOH508 2.2 66.3 1.0 O C:HOH520 2.2 68.3 1.0 O D:HOH513 2.2 66.0 1.0 OD2 C:ASP141 3.8 105.7 1.0 O C:GLY139 3.8 78.3 1.0 OE1 D:GLU112 4.1 81.0 1.0 O C:CYS140 4.2 89.1 1.0 OE2 D:GLU112 4.3 78.2 1.0 OE2 C:GLU112 4.3 76.0 1.0 C C:CYS140 4.3 88.2 1.0 CA C:CYS140 4.4 83.9 1.0 CG C:ASP141 4.6 103.6 1.0 O D:GLY139 4.6 75.0 1.0 OE1 C:GLU112 4.6 77.7 1.0 O D:CYS140 4.7 78.2 1.0 CD D:GLU112 4.7 77.3 1.0 OD1 D:ASP141 4.7 88.0 1.0 C D:CYS140 4.8 78.6 1.0 CG D:ASP141 4.8 91.5 1.0 N C:ASP141 4.8 90.9 1.0 C C:GLY139 4.8 78.8 1.0 CA D:CYS140 4.8 75.8 1.0 CD C:GLU112 4.9 73.5 1.0 CB C:ASP141 5.0 100.5 1.0 OD2 D:ASP141 5.0 97.5 1.0

A.Bujacz, J.Rum, M.Rutkiewicz, A.J.Pietrzyk-Brzezinska, G.Bujacz. Structural Evidence of Active Site Adaptability Towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase From Psychrobacter Sp. B6. Materials (Basel) V. 14 2021.
ISSN: ISSN 1996-1944
PubMed: 34204354
DOI: 10.3390/MA14123351