Magnesium in PDB 1nr9: Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase

The structure of Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase, PDB code: 1nr9 was solved by Y.Kim, A.Joachimiak, A.Edwards, T.Skarina, A.Savchenko, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.38 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.373, 83.546, 94.896, 90.00, 93.08, 90.00
R / Rfree (%)	20.6 / 27.5

The binding sites of Magnesium atom in the Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase (pdb code 1nr9). 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 Escherichia Coli 1262 (APC5008), Putative Isomerase, PDB code: 1nr9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase


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 Escherichia Coli 1262 (APC5008), Putative Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:23.2 occ:0.95 OE2 A:GLU70 2.4 48.4 1.0 OD2 A:ASP101 2.5 28.7 1.0 O A:HOH334 2.5 23.1 1.0 OE2 A:GLU72 3.1 14.6 1.0 O A:HOH315 3.2 26.7 1.0 NZ A:LYS122 3.3 34.9 1.0 CD A:GLU70 3.3 46.6 1.0 O A:GLY23 3.4 42.2 1.0 OE1 A:GLU70 3.5 47.3 1.0 O A:VAL22 3.5 26.5 1.0 CG A:ASP101 3.7 28.7 1.0 O A:HOH304 3.7 26.9 1.0 CE2 A:PHE44 4.2 33.8 1.0 CZ A:PHE44 4.2 34.0 1.0 CD A:GLU72 4.2 15.5 1.0 C A:GLY23 4.3 38.7 1.0 CE A:LYS122 4.4 31.4 1.0 CB A:ASP101 4.5 28.1 1.0 OD1 A:ASP101 4.6 26.9 1.0 OE1 A:GLU72 4.6 16.6 1.0 CA A:GLY23 4.6 34.3 1.0 C A:VAL22 4.6 26.8 1.0 CG A:GLU70 4.7 42.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase


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 Escherichia Coli 1262 (APC5008), Putative Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:23.5 occ:0.95 OD2 B:ASP101 2.4 21.6 1.0 OE1 B:GLU70 2.5 30.9 1.0 OE2 B:GLU72 2.6 37.9 1.0 O B:VAL22 2.8 39.2 1.0 O B:HOH310 2.9 32.7 1.0 O B:GLY23 3.4 46.7 1.0 CD B:GLU72 3.4 39.0 1.0 CG B:ASP101 3.6 25.2 1.0 OE1 B:GLU72 3.7 41.0 1.0 CD B:GLU70 3.7 31.9 1.0 CZ B:PHE44 4.0 12.7 1.0 C B:VAL22 4.0 35.7 1.0 CB B:ASP101 4.2 23.2 1.0 NZ B:LYS122 4.2 28.0 1.0 OE2 B:GLU70 4.2 31.1 1.0 C B:GLY23 4.3 41.7 1.0 CE2 B:PHE44 4.4 11.0 1.0 CA B:GLY23 4.5 39.6 1.0 O B:HOH370 4.5 30.4 1.0 OD1 B:ASP101 4.5 26.1 1.0 CA B:GLY191 4.8 32.2 1.0 N B:GLY23 4.8 37.5 1.0 CG B:GLU72 4.8 37.1 1.0 CG B:GLU70 4.9 28.8 1.0 N B:VAL22 4.9 32.1 1.0 CB B:CYS21 4.9 24.7 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase


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 Escherichia Coli 1262 (APC5008), Putative Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg303 b:22.3 occ:0.95 OE2 C:GLU72 2.3 31.6 1.0 OD2 C:ASP101 2.4 32.5 1.0 O C:HOH344 2.6 23.4 1.0 OE2 C:GLU70 2.6 37.5 1.0 O C:HOH308 2.7 21.4 1.0 CG C:ASP101 3.1 32.9 1.0 CD C:GLU72 3.2 30.4 1.0 O C:VAL22 3.3 39.7 1.0 OE1 C:GLU72 3.3 27.5 1.0 CB C:ASP101 3.6 28.6 1.0 CD C:GLU70 3.8 37.2 1.0 NZ C:LYS122 4.0 29.6 1.0 CZ C:PHE44 4.0 24.4 1.0 OD1 C:ASP101 4.0 34.8 1.0 OG1 C:THR192 4.1 54.1 1.0 CE2 C:PHE44 4.2 24.9 1.0 O C:GLY23 4.3 50.8 1.0 OE1 C:GLU70 4.4 33.5 1.0 C C:VAL22 4.5 38.5 1.0 CG C:GLU72 4.6 29.2 1.0 CB C:GLU70 4.7 33.5 1.0 O C:HOH334 4.9 32.8 1.0 CG C:GLU70 4.9 35.5 1.0 CA C:GLY191 4.9 35.8 1.0 C C:GLY23 4.9 47.6 1.0 CA C:GLY23 4.9 44.0 1.0 CB C:CYS21 4.9 28.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Escherichia Coli 1262 (APC5008), Putative Isomerase


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 Escherichia Coli 1262 (APC5008), Putative Isomerase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg304 b:24.0 occ:0.95 OE2 D:GLU72 2.4 33.0 1.0 O D:HOH366 2.4 26.3 1.0 OD2 D:ASP101 2.4 28.0 1.0 OE1 D:GLU70 2.6 59.8 1.0 O D:VAL22 2.9 32.3 1.0 CD D:GLU72 3.2 32.1 1.0 OE1 D:GLU72 3.4 31.6 1.0 CG D:ASP101 3.6 29.2 1.0 O D:GLY23 3.7 45.5 1.0 CD D:GLU70 3.7 55.9 1.0 OG1 D:THR192 4.0 54.0 1.0 NZ D:LYS122 4.0 21.5 1.0 C D:VAL22 4.1 32.7 1.0 CB D:ASP101 4.2 24.6 1.0 OE2 D:GLU70 4.3 60.6 1.0 CZ D:PHE44 4.3 28.9 1.0 CG D:GLU72 4.4 29.0 1.0 CA D:GLY191 4.4 36.7 1.0 CE2 D:PHE44 4.5 30.2 1.0 C D:GLY23 4.6 42.1 1.0 OD1 D:ASP101 4.6 33.6 1.0 O D:HOH319 4.6 29.7 1.0 N D:THR192 4.7 39.2 1.0 CA D:GLY23 4.8 39.6 1.0 C D:GLY191 4.8 38.0 1.0 N D:VAL22 4.9 26.9 1.0 CG D:GLU70 4.9 49.2 1.0 N D:GLY23 4.9 36.1 1.0 CB D:CYS21 5.0 27.4 1.0 CB D:GLU70 5.0 40.5 1.0 O D:HOH365 5.0 33.0 1.0

Y.Kim, A.Joachimiak, A.Edwards, T.Skarina, A.Savchenko. Crystal Structure of Escherichia Coli Putative Isomerase EC1262 (APC5008) To Be Published.