Magnesium in PDB 7cvw: Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis

The structure of Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis, PDB code: 7cvw was solved by B.Kim, S.H.Lee, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.55 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.689, 98.226, 101.773, 90, 90, 90
R / Rfree (%)	17.4 / 19.5

The binding sites of Magnesium atom in the Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis (pdb code 7cvw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis, PDB code: 7cvw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis


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 Catechol O-Methyl Transferase (Comt) From Niastella Koreensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:2.5 occ:1.00 OD2 A:ASP165 2.4 9.6 1.0 OD1 A:ASP139 2.4 9.8 1.0 O A:HOH413 2.4 10.0 1.0 OD1 A:ASN166 2.4 10.1 1.0 O A:HOH474 2.5 11.5 1.0 OD2 A:ASP139 2.7 8.7 1.0 CG A:ASP139 2.8 8.6 1.0 CG A:ASN166 3.4 10.2 1.0 CG A:ASP165 3.4 9.2 1.0 ND2 A:ASN166 3.6 11.0 1.0 CB A:ASP165 3.7 8.7 1.0 NZ A:LYS142 4.1 10.0 1.0 O A:HOH430 4.1 11.7 1.0 O A:ILE39 4.2 11.2 1.0 CB A:ASP139 4.3 8.2 1.0 OD1 A:ASP165 4.4 10.4 1.0 NZ A:LYS210 4.5 11.9 1.0 CB A:SAH303 4.7 20.0 1.0 CB A:ASN166 4.7 9.4 1.0 O A:ASP139 4.8 8.0 1.0 OXT A:SAH303 4.9 20.0 1.0 CG1 A:VAL41 5.0 8.9 1.0 CE A:LYS142 5.0 9.9 1.0 CG A:SAH303 5.0 20.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Catechol O-Methyl Transferase (Comt) From Niastella Koreensis


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 Catechol O-Methyl Transferase (Comt) From Niastella Koreensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:4.0 occ:1.00 OD2 B:ASP165 2.4 12.3 1.0 OD1 B:ASP139 2.4 12.2 1.0 O B:HOH469 2.4 16.0 1.0 O B:HOH414 2.4 11.1 1.0 OD1 B:ASN166 2.4 11.6 1.0 OD2 B:ASP139 2.6 10.7 1.0 CG B:ASP139 2.8 10.6 1.0 CG B:ASP165 3.3 11.1 1.0 CG B:ASN166 3.4 11.2 1.0 ND2 B:ASN166 3.7 12.1 1.0 CB B:ASP165 3.8 10.3 1.0 O B:HOH418 4.1 14.2 1.0 O B:ILE39 4.1 11.9 1.0 NZ B:LYS142 4.2 15.1 1.0 CB B:ASP139 4.3 10.4 1.0 OD1 B:ASP165 4.4 11.3 1.0 NZ B:LYS210 4.5 16.8 1.0 CB B:SAH303 4.6 20.0 1.0 CB B:ASN166 4.7 10.9 1.0 OXT B:SAH303 4.8 20.0 1.0 O B:ASP139 4.9 10.8 1.0 CG B:SAH303 5.0 20.0 1.0

B.Kim, S.H.Lee, K.J.Kim. Structural and Biochemical Analysis of Fumarasec From Mannheimia Succiniciproducens To Be Published.