Magnesium in PDB 5jrw: Crystal Structure of Thermotoga Maritima Mutant D89R/D253R

The structure of Crystal Structure of Thermotoga Maritima Mutant D89R/D253R, PDB code: 5jrw was solved by T.Kowatz, M.Maguire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 3.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	123.671, 134.808, 177.373, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 27.4

The binding sites of Magnesium atom in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R (pdb code 5jrw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R, PDB code: 5jrw:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


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 Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:0.9 occ:1.00 OD1 B:ASP277 4.2 0.9 1.0 OD1 A:ASP277 4.3 0.2 1.0 OD1 E:ASP277 4.5 0.2 1.0 OD1 C:ASP277 4.6 0.2 1.0 OD1 D:ASP277 4.6 0.9 1.0 OD2 B:ASP277 4.8 0.7 1.0 OD2 A:ASP277 4.8 0.5 1.0 CG B:ASP277 4.9 0.7 1.0 CG A:ASP277 5.0 0.1 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


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 Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:97.7 occ:1.00 OD1 B:ASN314 3.5 0.4 1.0 O C:GLY312 3.7 0.4 1.0 ND2 C:ASN314 3.7 0.7 1.0 OD1 E:ASN314 3.7 0.8 1.0 O E:GLY312 3.8 0.7 1.0 OD1 A:ASN314 3.9 0.3 1.0 ND2 D:ASN314 4.0 0.6 1.0 O B:GLY312 4.0 0.7 1.0 O D:GLY312 4.2 0.0 1.0 O A:GLY312 4.2 0.5 1.0 ND2 B:ASN314 4.3 0.4 1.0 CG B:ASN314 4.3 0.7 1.0 OD1 C:ASN314 4.4 1.0 1.0 CG C:ASN314 4.5 0.7 1.0 CG E:ASN314 4.6 0.2 1.0 C C:GLY312 4.7 0.6 1.0 ND2 A:ASN314 4.7 0.2 1.0 ND2 E:ASN314 4.7 0.4 1.0 CG A:ASN314 4.8 0.7 1.0 OD1 D:ASN314 4.8 0.5 1.0 C E:GLY312 4.8 0.8 1.0 CA C:GLY312 4.9 0.8 1.0 CG D:ASN314 4.9 0.5 1.0 CA E:GLY312 5.0 0.5 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


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 Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:0.8 occ:1.00 CG B:ARG253 3.3 0.4 1.0 OD1 B:ASP175 3.4 0.1 1.0 NE2 B:HIS257 3.6 0.3 1.0 OD2 B:ASP175 3.7 0.3 1.0 OH B:TYR171 3.8 0.2 1.0 OE2 C:GLU88 3.8 0.0 1.0 CG B:ASP175 3.9 0.6 1.0 NE B:ARG253 4.0 0.2 1.0 CD B:ARG253 4.2 0.2 1.0 CD2 B:HIS257 4.3 0.8 1.0 CB B:ARG253 4.4 0.9 1.0 CE1 B:HIS257 4.6 0.4 1.0 CD C:GLU88 4.9 0.6 1.0 CZ B:TYR171 4.9 0.0 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


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 Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:0.6 occ:1.00 NH2 B:ARG216 3.5 0.5 1.0 OD2 A:ASP193 3.8 0.1 1.0 OD1 A:ASP189 3.8 0.9 1.0 OD2 A:ASP189 3.8 0.1 1.0 OD1 A:ASP193 3.9 0.1 1.0 CG A:ASP189 4.3 1.0 1.0 CG A:ASP193 4.3 0.2 1.0 CZ B:ARG216 4.5 0.6 1.0 NE B:ARG216 4.7 0.5 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:0.4 occ:1.00 OD2 E:ASP179 3.1 0.2 1.0 CB D:PRO14 3.2 1.0 1.0 OD2 E:ASP175 3.3 0.3 1.0 CA D:PRO14 3.4 0.6 1.0 CG E:ASP179 4.1 0.8 1.0 CG D:PRO14 4.1 0.8 1.0 CG E:ASP175 4.1 1.0 1.0 OD1 E:ASP175 4.1 0.9 1.0 OD1 E:ASP179 4.2 0.6 1.0 N D:PRO14 4.3 0.6 1.0 CD D:PRO14 4.4 0.3 1.0 C D:PRO14 4.6 0.6 1.0 O D:PRO14 4.6 0.8 1.0 NE2 E:HIS257 4.7 0.2 1.0 OE2 D:GLU88 4.9 0.5 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Thermotoga Maritima Mutant D89R/D253R


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Thermotoga Maritima Mutant D89R/D253R within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg401 b:0.8 occ:1.00 O E:LEU12 3.1 0.1 1.0 OD2 C:ASP175 3.6 0.5 1.0 OD2 C:ASP179 3.9 0.3 1.0 CA E:PRO14 3.9 0.7 1.0 C E:LEU12 4.2 0.7 1.0 OD1 C:ASP175 4.3 0.1 1.0 CE1 C:HIS257 4.4 0.7 1.0 CB E:LEU12 4.4 0.1 1.0 N E:PRO14 4.4 0.2 1.0 CG C:ASP175 4.4 0.7 1.0 CB E:PRO14 4.5 0.2 1.0 C E:PRO13 4.7 0.8 1.0 CG C:ASP179 4.7 0.1 1.0 OD1 C:ASP179 4.8 0.4 1.0 O E:PRO14 4.9 0.6 1.0 CA E:LEU12 4.9 0.1 1.0 O E:PRO13 4.9 0.5 1.0 C E:PRO14 4.9 0.8 1.0 CD E:PRO14 5.0 0.5 1.0

T.Kowatz, M.Maguire. Crystal Structure of Thermotoga Maritima Mutant D89R/D253R To Be Published.