Magnesium in PDB 4pft: Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution

The structure of Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution, PDB code: 4pft was solved by X.Lu, S.Ghimire-Rijal, M.J.Cuneo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.07 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.489, 53.540, 106.280, 90.00, 110.47, 90.00
R / Rfree (%)	15.2 / 20.4

The binding sites of Magnesium atom in the Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution (pdb code 4pft). 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 Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution, PDB code: 4pft:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution


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 Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:21.7 occ:1.00 OD1 A:ASP366 1.9 20.2 1.0 O A:HOH1262 2.0 24.0 1.0 O A:PHE368 2.0 19.1 1.0 OD1 A:ASP362 2.0 22.9 1.0 OE2 A:GLU370 2.1 23.3 1.0 OD1 A:ASN364 2.1 24.9 1.0 CG A:ASP366 2.8 28.5 1.0 CG A:ASN364 3.1 25.8 1.0 C A:PHE368 3.2 17.9 1.0 CG A:ASP362 3.2 26.2 1.0 OD2 A:ASP366 3.2 26.0 1.0 CD A:GLU370 3.2 31.1 1.0 ND2 A:ASN364 3.5 24.0 1.0 N A:PHE368 3.7 24.3 1.0 CA A:PHE368 3.8 24.7 1.0 N A:ASP366 3.9 22.0 1.0 CG A:GLU370 4.0 22.4 1.0 CB A:ASP362 4.0 25.4 1.0 CB A:PHE368 4.0 20.0 1.0 CA A:ASP362 4.0 20.8 1.0 CB A:ASP366 4.1 28.0 1.0 OD2 A:ASP362 4.1 25.5 1.0 OE1 A:GLU370 4.2 36.1 1.0 O A:HOH898 4.2 20.1 1.0 N A:ARG369 4.3 18.2 1.0 CA A:ASP366 4.4 24.4 1.0 N A:ASN364 4.4 24.4 1.0 N A:LYS365 4.4 25.3 1.0 CB A:ASN364 4.4 24.9 1.0 N A:GLY367 4.5 21.6 1.0 C A:ASP362 4.5 26.2 1.0 C A:ARG369 4.5 20.6 1.0 CA A:ARG369 4.5 17.9 1.0 N A:GLU370 4.6 24.2 1.0 C A:ASP366 4.6 26.2 1.0 C A:ASN364 4.6 28.6 1.0 CA A:ASN364 4.7 25.1 1.0 N A:VAL363 4.8 25.1 0.2 N A:VAL363 4.8 23.0 0.8 C A:GLY367 4.8 19.9 1.0 O A:ARG369 5.0 20.8 1.0 C A:LYS365 5.0 22.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution


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 Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1223) From Thermotoga Maritima at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:39.6 occ:1.00 OD1 B:ASP362 2.1 33.6 1.0 OE2 B:GLU370 2.1 32.7 1.0 OD1 B:ASP366 2.1 38.4 1.0 O B:PHE368 2.1 33.3 1.0 OD1 B:ASN364 2.2 36.4 1.0 OE1 B:GLU370 2.4 34.4 1.0 CD B:GLU370 2.5 33.8 1.0 CG B:ASP366 2.9 42.5 1.0 CG B:ASP362 3.1 38.9 1.0 OD2 B:ASP366 3.2 37.0 1.0 CG B:ASN364 3.2 50.9 1.0 C B:PHE368 3.2 34.6 1.0 ND2 B:ASN364 3.7 53.5 1.0 N B:PHE368 3.8 34.4 1.0 CA B:ASP362 3.9 38.4 1.0 CA B:PHE368 3.9 30.0 1.0 OD2 B:ASP362 3.9 42.4 1.0 CB B:ASP362 3.9 38.3 1.0 N B:ASN364 4.0 39.4 1.0 CG B:GLU370 4.1 35.0 1.0 N B:VAL363 4.1 36.8 1.0 CB B:PHE368 4.1 33.8 1.0 N B:ASP366 4.1 35.3 1.0 CB B:ASP366 4.3 40.4 1.0 N B:ARG369 4.3 31.0 1.0 C B:ASP362 4.3 40.1 1.0 N B:GLU370 4.4 33.4 1.0 CB B:ASN364 4.5 46.4 1.0 N B:LYS365 4.5 42.4 1.0 O B:HOH1127 4.5 33.4 1.0 C B:ARG369 4.6 30.3 1.0 CA B:ARG369 4.6 29.0 1.0 CA B:ASN364 4.6 51.2 1.0 CA B:ASP366 4.6 42.4 1.0 N B:GLY367 4.7 36.1 1.0 C B:ASN364 4.7 48.8 1.0 C B:ASP366 4.9 43.8 1.0 C B:GLY367 4.9 37.3 1.0 CB B:GLU370 5.0 34.0 1.0

S.Ghimire-Rijal, X.Lu, D.A.Myles, M.J.Cuneo. Duplication of Genes in An Atp-Binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity. J.Biol.Chem. V. 289 30090 2014.
ISSN: ESSN 1083-351X
PubMed: 25210043
DOI: 10.1074/JBC.M114.590992