Magnesium in PDB 4ml9: Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis

The structure of Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis, PDB code: 4ml9 was solved by Y.Kim, J.Holowicki, M.Endres, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.87 / 1.84
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.475, 127.475, 91.013, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.6

The binding sites of Magnesium atom in the Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis (pdb code 4ml9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis, PDB code: 4ml9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis


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 Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:21.2 occ:1.00 O2 A:EDO306 1.9 39.1 1.0 NE2 A:HIS137 2.0 20.8 1.0 OE1 A:GLU236 2.2 40.3 1.0 OE2 A:GLU236 2.3 31.2 1.0 NE2 A:HIS139 2.5 27.9 1.0 CD A:GLU236 2.6 28.7 1.0 O A:HOH417 2.7 23.0 1.0 C2 A:EDO306 2.9 40.7 1.0 CD2 A:HIS137 2.9 18.0 1.0 CE1 A:HIS137 3.0 20.6 1.0 CE1 A:HIS139 3.4 31.5 1.0 CD2 A:HIS139 3.5 30.6 1.0 CG A:GLU236 4.1 21.5 1.0 ND1 A:HIS137 4.1 18.3 1.0 C1 A:EDO306 4.1 44.3 1.0 CG A:HIS137 4.1 18.3 1.0 OE1 A:GLU54 4.1 21.1 1.0 OE2 A:GLU54 4.1 18.8 1.0 O1 A:EDO306 4.2 43.1 1.0 CD A:GLU54 4.4 19.8 1.0 ND1 A:HIS139 4.5 28.6 1.0 O3 A:GOL307 4.5 48.4 1.0 CG A:HIS139 4.6 27.2 1.0 CZ A:PHE112 4.7 21.6 1.0 CG1 A:VAL256 5.0 17.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis


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 Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:15.4 occ:1.00 O2 B:EDO303 1.9 30.7 1.0 NE2 B:HIS137 2.0 15.5 1.0 NE2 B:HIS139 2.2 18.8 1.0 OE1 B:GLU236 2.3 26.0 1.0 OE2 B:GLU236 2.3 21.6 1.0 CD B:GLU236 2.6 24.7 1.0 O B:HOH478 2.9 22.2 1.0 C2 B:EDO303 2.9 25.6 1.0 CD2 B:HIS137 2.9 16.4 1.0 CE1 B:HIS137 3.0 15.6 1.0 CE1 B:HIS139 3.2 15.7 1.0 CD2 B:HIS139 3.3 18.6 1.0 CG B:HIS137 4.1 13.8 1.0 ND1 B:HIS137 4.1 11.6 1.0 CG B:GLU236 4.2 11.5 1.0 OE2 B:GLU54 4.2 15.3 1.0 C1 B:EDO303 4.2 30.1 1.0 OE1 B:GLU54 4.3 16.5 1.0 ND1 B:HIS139 4.3 14.9 1.0 CG B:HIS139 4.4 14.0 1.0 O1 B:EDO303 4.4 34.9 1.0 CZ B:PHE112 4.5 12.8 1.0 O2 B:GOL308 4.5 72.5 1.0 CD B:GLU54 4.6 18.1 1.0 O1 B:GOL304 4.7 45.7 1.0 CE2 B:PHE112 5.0 13.7 1.0 CE1 B:PHE112 5.0 12.7 1.0 CE1 B:TYR163 5.0 11.2 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:36.5 occ:1.00 O B:HOH420 1.9 22.1 1.0 O B:HOH612 2.2 34.9 1.0 O B:HOH529 2.2 21.4 1.0 O B:HOH463 2.3 18.6 1.0 O B:HOH452 4.0 17.6 1.0 O B:HOH544 4.0 35.1 1.0 O B:HOH490 4.0 25.4 1.0 ND2 B:ASN253 4.0 12.9 1.0 O B:HOH524 4.1 18.5 1.0 O B:HOH456 4.1 16.1 1.0 OD1 B:ASN253 4.3 12.5 1.0 O B:HOH682 4.4 40.5 1.0 O B:HOH557 4.4 43.1 1.0 O B:HOH425 4.5 15.2 1.0 CG B:ASN253 4.6 10.9 1.0

Y.Kim, J.Holowicki, M.Endres, A.Joachimiak. Crystal Structure of Uncharacterized Tim Barrel Protein with the Conserved Phosphate Binding Site Fromsebaldella Termitidis To Be Published.