Magnesium in PDB 4fk1: Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis

The structure of Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis, PDB code: 4fk1 was solved by N.Maltseva, Y.Kim, K.Kwon, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.61 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	82.558, 54.096, 140.037, 90.00, 93.04, 90.00
R / Rfree (%)	17.1 / 22.9

The binding sites of Magnesium atom in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis (pdb code 4fk1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis, PDB code: 4fk1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis


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 Putative Thioredoxin Reductase Trxb From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:0.8 occ:1.00 O A:HOH610 2.0 80.9 1.0 O A:HOH611 2.0 82.5 1.0 O A:HOH612 2.1 75.9 1.0 O A:HOH605 2.1 46.6 1.0 OD1 A:ASN44 2.3 75.7 0.4 OD2 A:ASP137 2.6 74.6 1.0 CG A:ASN44 3.5 79.0 0.4 OG1 A:THR42 3.5 78.3 1.0 O A:ASN44 3.6 71.1 0.6 CG A:ASP137 3.6 72.4 1.0 O A:ASN44 3.8 70.2 0.4 CE1 A:PHE131 4.0 58.9 1.0 CB A:ASP137 4.1 68.3 1.0 ND2 A:ASN44 4.2 78.5 0.4 C A:ASN44 4.3 70.1 0.6 C A:ASN44 4.3 70.2 0.4 OE1 A:GLU140 4.3 81.9 1.0 CD1 A:PHE131 4.5 54.4 1.0 N A:ASN44 4.5 79.0 0.4 N A:ASN44 4.5 79.2 0.6 CB A:ASN44 4.5 79.1 0.4 CA A:ASP137 4.6 72.3 1.0 CZ A:PHE131 4.7 60.7 1.0 OD1 A:ASP137 4.7 73.2 1.0 CD2 A:HIS46 4.7 72.5 1.0 CA A:ASN44 4.7 76.0 0.4 O A:CYS136 4.8 70.6 1.0 CB A:THR42 4.8 75.5 1.0 CA A:ASN44 4.9 75.7 0.6 NE2 A:HIS46 4.9 71.4 1.0 O4 A:FAD500 5.0 48.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis


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 Putative Thioredoxin Reductase Trxb From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg501 b:96.4 occ:1.00 OD1 C:ASN44 2.0 62.6 1.0 O C:HOH612 2.0 40.4 1.0 OD2 C:ASP137 2.1 48.4 1.0 O C:HOH611 2.1 53.6 1.0 O C:HOH624 2.1 39.7 1.0 CG C:ASN44 3.1 59.9 1.0 O C:HOH642 3.3 59.4 1.0 CG C:ASP137 3.3 45.6 1.0 ND2 C:ASN44 3.5 60.5 1.0 O C:ASN44 3.8 48.1 1.0 O C:HOH614 3.9 46.5 1.0 OG1 C:THR42 3.9 40.1 1.0 OD1 C:ASP137 4.1 52.9 1.0 C C:ASN44 4.2 43.9 1.0 CB C:ASP137 4.3 26.9 1.0 CE1 C:PHE131 4.3 34.5 1.0 ND1 C:HIS46 4.3 30.3 1.0 CB C:ASN44 4.4 48.9 1.0 O4 C:FAD500 4.5 36.1 1.0 OE1 C:GLU140 4.5 44.7 1.0 O C:CYS136 4.6 38.9 1.0 CA C:ASP137 4.7 28.9 1.0 N C:SER45 4.7 37.9 1.0 CA C:ASN44 4.8 42.6 1.0 CZ C:PHE131 4.8 32.6 1.0 CE1 C:HIS46 4.8 31.3 1.0 N C:ASN44 4.8 45.3 1.0 CD1 C:PHE131 4.9 32.3 1.0 CA C:SER45 5.0 37.1 1.0 N5 C:FAD500 5.0 40.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis


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 Putative Thioredoxin Reductase Trxb From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg502 b:89.0 occ:1.00 OE C:MSO68 1.9 0.0 1.0 O C:HOH648 2.0 58.3 1.0 O C:HOH646 2.1 82.4 1.0 O C:HOH645 2.1 58.8 1.0 O C:HOH644 2.2 56.0 1.0 O C:HOH647 2.2 58.6 1.0 SE C:MSO68 3.4 0.9 1.0 CE C:MSO68 3.6 66.2 1.0 O C:HOH617 4.2 29.8 1.0 CG C:MSO68 4.3 40.4 1.0 CB C:MSO68 4.3 34.6 1.0 OD1 C:ASN65 4.3 51.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:71.9 occ:1.00 O D:HOH617 2.1 47.8 1.0 OD2 D:ASP137 2.1 43.8 1.0 O D:HOH616 2.1 50.7 1.0 O D:HOH615 2.2 45.7 1.0 OD1 D:ASN44 2.2 33.4 0.5 O D:HOH648 2.6 72.7 1.0 O D:ASN44 3.3 47.1 0.5 CG D:ASP137 3.3 47.5 1.0 CG D:ASN44 3.4 39.5 0.5 O D:ASN44 3.7 46.0 0.5 OG1 D:THR42 3.8 51.9 1.0 ND2 D:ASN44 4.0 40.0 0.5 C D:ASN44 4.1 43.3 0.5 OD1 D:ASP137 4.1 46.9 1.0 C D:ASN44 4.2 43.9 0.5 ND1 D:HIS46 4.3 32.8 1.0 CB D:ASP137 4.3 47.0 1.0 CE1 D:PHE131 4.4 43.9 1.0 OE1 D:GLU140 4.6 48.7 1.0 CB D:ASN44 4.6 39.4 0.5 O4 D:FAD500 4.7 33.8 1.0 O D:CYS136 4.7 40.1 1.0 CE1 D:HIS46 4.7 28.9 1.0 CA D:ASN44 4.8 41.6 0.5 N D:ASN44 4.8 45.0 0.5 CA D:ASP137 4.8 44.3 1.0 N D:SER45 4.8 44.0 1.0 CA D:SER45 4.8 37.7 1.0 N D:ASN44 4.9 45.0 0.5 CA D:ASN44 4.9 41.2 0.5 CZ D:PHE131 4.9 39.1 1.0 CD1 D:PHE131 4.9 46.0 1.0 CB D:ASN44 5.0 40.3 0.5

N.Maltseva, Y.Kim, K.Kwon, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Putative Thioredoxin Reductase Trxb From Bacillus Anthracis To Be Published.