Magnesium in PDB 4pfu: Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1226) From Thermotoga Maritima at 2.05 A Resolution

The structure of Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1226) From Thermotoga Maritima at 2.05 A Resolution, PDB code: 4pfu 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)	48.47 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.911, 193.867, 159.513, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1226) From Thermotoga Maritima at 2.05 A Resolution (pdb code 4pfu). 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 (TM1226) From Thermotoga Maritima at 2.05 A Resolution, PDB code: 4pfu:
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 (TM1226) From Thermotoga Maritima at 2.05 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 (TM1226) From Thermotoga Maritima at 2.05 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:48.3 occ:1.00 OD1 A:ASN364 2.1 65.9 1.0 OE1 A:GLU370 2.2 64.2 1.0 OD1 A:ASP366 2.3 49.5 1.0 O A:PHE368 2.3 44.7 1.0 OD1 A:ASP362 2.4 55.1 1.0 OE2 A:GLU370 2.6 72.2 1.0 CD A:GLU370 2.8 65.8 1.0 CG A:ASN364 2.9 67.7 1.0 CG A:ASP366 3.2 54.3 1.0 ND2 A:ASN364 3.3 77.8 1.0 CG A:ASP362 3.3 57.6 1.0 C A:PHE368 3.4 48.2 1.0 OD2 A:ASP366 3.8 58.2 1.0 N A:PHE368 3.8 45.7 1.0 N A:ASP366 3.9 49.9 1.0 O A:HOH975 3.9 49.2 1.0 N A:ASN364 3.9 63.2 1.0 CA A:PHE368 4.0 45.5 1.0 CA A:ASP362 4.0 55.0 1.0 CB A:ASP362 4.1 57.3 1.0 OD2 A:ASP362 4.1 59.0 1.0 CB A:PHE368 4.1 44.5 1.0 N A:GLY365 4.2 66.9 1.0 N A:VAL363 4.2 58.3 1.0 CB A:ASN364 4.2 64.8 1.0 CG A:GLU370 4.3 60.8 1.0 CB A:ASP366 4.3 51.2 1.0 C A:ASP362 4.4 58.2 1.0 CA A:ASN364 4.4 66.5 1.0 N A:GLY367 4.5 45.2 1.0 CA A:ASP366 4.5 47.2 1.0 N A:ARG369 4.5 48.7 1.0 C A:ASN364 4.5 67.1 1.0 O A:HOH789 4.6 42.8 1.0 C A:ASP366 4.7 43.7 1.0 N A:GLU370 4.7 52.0 1.0 CA A:ARG369 4.8 50.5 1.0 C A:ARG369 4.9 53.3 1.0 C A:GLY367 4.9 43.9 1.0 C A:GLY365 4.9 55.7 1.0 CA A:GLY365 5.0 58.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mannobiose Bound Oligopeptide Abc Transporter, Periplasmic Oligopeptide-Binding Protein (TM1226) From Thermotoga Maritima at 2.05 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 (TM1226) From Thermotoga Maritima at 2.05 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:58.5 occ:1.00 O B:PHE368 2.1 61.6 1.0 OE1 B:GLU370 2.2 73.9 1.0 OD1 B:ASP366 2.2 74.7 1.0 OD1 B:ASP362 2.3 74.7 1.0 OD1 B:ASN364 2.6 74.7 1.0 OE2 B:GLU370 2.6 82.8 1.0 CD B:GLU370 2.7 79.6 1.0 C B:PHE368 3.2 58.3 1.0 CG B:ASP366 3.2 70.1 1.0 CG B:ASP362 3.3 74.5 1.0 CG B:ASN364 3.4 72.9 1.0 N B:PHE368 3.6 61.1 1.0 OD2 B:ASP366 3.7 61.4 1.0 ND2 B:ASN364 3.7 72.1 1.0 CA B:PHE368 3.8 60.9 1.0 CA B:ASP362 3.9 64.1 1.0 CB B:ASP362 4.0 67.8 1.0 CB B:PHE368 4.0 59.8 1.0 N B:ASP366 4.1 70.6 1.0 N B:VAL363 4.2 75.8 1.0 N B:ASN364 4.2 76.7 1.0 CG B:GLU370 4.2 80.9 1.0 OD2 B:ASP362 4.2 73.1 1.0 N B:ARG369 4.3 53.6 1.0 C B:ASP362 4.4 72.3 1.0 CB B:ASP366 4.4 70.4 1.0 N B:GLY367 4.5 71.9 1.0 N B:GLY365 4.5 85.3 1.0 O B:HOH880 4.6 48.2 1.0 N B:GLU370 4.6 58.3 1.0 CB B:ASN364 4.6 73.0 1.0 C B:ARG369 4.6 55.6 1.0 CA B:ASP366 4.6 68.0 1.0 CA B:ARG369 4.7 55.0 1.0 C B:ASP366 4.7 70.5 1.0 C B:GLY367 4.8 63.8 1.0 CA B:ASN364 4.8 76.9 1.0 C B:ASN364 4.9 81.7 1.0 CB B:GLU370 5.0 76.5 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