Magnesium in PDB 8wev: Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava

The structure of Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava, PDB code: 8wev was solved by J.Seok, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.49 / 2.29
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	114.764, 132.1, 161.995, 90, 90, 90
R / Rfree (%)	19.9 / 26.1

The binding sites of Magnesium atom in the Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava (pdb code 8wev). 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 Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava, PDB code: 8wev:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava


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 Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:36.4 occ:1.00 NE A:ARG357 3.6 46.1 1.0 CA A:ARG357 3.9 37.4 1.0 CB A:GLU359 3.9 47.2 1.0 N A:GLU359 4.0 41.8 1.0 C A:ARG357 4.1 36.1 1.0 CD A:PRO358 4.2 37.9 1.0 N A:PRO358 4.2 37.0 1.0 CD A:ARG357 4.3 43.9 1.0 N A:ALA360 4.3 40.4 1.0 CB A:ARG357 4.4 40.3 1.0 CG A:GLU359 4.4 49.7 1.0 NH2 A:ARG357 4.4 48.0 1.0 CA A:GLU359 4.5 41.4 1.0 CZ A:ARG357 4.5 47.1 1.0 O A:GLY356 4.6 43.3 1.0 O A:ARG357 4.7 34.4 1.0 CG A:ARG357 4.9 40.5 1.0 C A:GLU359 4.9 40.1 1.0 CG A:PRO358 4.9 37.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava


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 Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:44.6 occ:1.00 NH1 A:ARG24 3.5 58.6 1.0 NE A:ARG24 3.5 60.1 1.0 NH2 A:ARG189 3.6 52.1 1.0 NH1 A:ARG189 3.6 52.5 1.0 CG2 A:THR21 3.8 38.6 1.0 OG1 A:THR21 3.9 38.7 1.0 CZ A:ARG24 3.9 59.0 1.0 CB A:THR21 4.0 37.1 1.0 CZ A:ARG189 4.0 48.0 1.0 CD A:ARG24 4.6 61.3 1.0 CG2 A:THR215 4.8 37.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava


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 Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:60.1 occ:1.00 NH1 A:ARG87 3.3 89.9 1.0 ND2 A:ASN85 3.7 42.9 1.0 N A:GLY477 3.8 91.3 1.0 NE2 A:HIS198 4.2 47.3 1.0 CA A:GLY477 4.4 95.7 1.0 CB A:THR476 4.4 81.8 1.0 CD A:ARG87 4.5 72.0 1.0 CZ A:ARG87 4.5 86.9 1.0 CE1 A:HIS198 4.6 47.8 1.0 CA A:THR476 4.7 86.8 1.0 C A:THR476 4.7 87.8 1.0 CG A:ASN85 4.8 43.9 1.0 CZ A:PHE197 4.9 48.2 1.0 NE A:ARG87 5.0 78.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava


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 Feruoyl-Coa Synthetase Complexed with Amp From Amycolatopsis Thermoflava within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:38.8 occ:1.00 NE B:ARG357 3.5 53.9 1.0 CA B:ARG357 3.8 40.3 1.0 CB B:GLU359 3.9 47.6 1.0 N B:GLU359 4.0 42.4 1.0 C B:ARG357 4.1 37.6 1.0 CD B:PRO358 4.1 42.3 1.0 CD B:ARG357 4.2 46.2 1.0 CB B:ARG357 4.2 43.1 1.0 N B:ALA360 4.2 43.0 1.0 N B:PRO358 4.2 40.3 1.0 CG B:GLU359 4.2 59.1 1.0 NH2 B:ARG357 4.3 55.5 1.0 CZ B:ARG357 4.4 55.0 1.0 CA B:GLU359 4.5 44.5 1.0 O B:GLY356 4.7 44.5 1.0 O B:ARG357 4.8 38.8 1.0 CB B:ALA360 4.8 39.6 1.0 CG B:ARG357 4.8 47.1 1.0 C B:GLU359 4.9 45.2 1.0 CG B:PRO358 5.0 40.5 1.0

J.Seok, K.-J.Kim. Structural Analysis of Feruloyl-Coa Synthetase From Amycolatopsis Thermoflava. To Be Published.