Magnesium in PDB 4pq9: Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum

The structure of Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum, PDB code: 4pq9 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.20 / 1.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.120, 46.840, 51.840, 109.45, 95.63, 99.79
R / Rfree (%)	11.8 / 14.3

The binding sites of Magnesium atom in the Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum (pdb code 4pq9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum, PDB code: 4pq9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum


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 A Beta-1,3-Glucanase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:5.5 occ:1.00 O A:ASP253 2.0 4.9 1.0 O A:SER86 2.1 5.4 1.0 OD1 A:ASP253 2.1 5.5 1.0 O A:GLU35 2.1 5.3 1.0 OG A:SER86 2.1 6.3 1.0 O A:HOH407 2.1 6.3 1.0 C A:ASP253 3.0 4.6 1.0 CB A:SER86 3.0 6.2 1.0 C A:SER86 3.1 5.0 1.0 C A:GLU35 3.2 4.9 1.0 CG A:ASP253 3.2 5.8 1.0 CA A:ASP253 3.5 4.8 1.0 CA A:SER86 3.5 5.8 1.0 CA A:GLU35 3.8 5.0 1.0 CB A:ASP253 3.9 5.3 1.0 O A:HOH593 4.0 23.7 1.0 O A:HOH576 4.2 16.6 1.0 OD2 A:ASP253 4.2 7.3 1.0 N A:TRP254 4.2 4.5 1.0 N A:PHE36 4.2 5.2 1.0 OD1 A:ASP37 4.2 10.3 1.0 CB A:GLU35 4.2 5.8 1.0 N A:ASN87 4.3 5.2 1.0 CB A:PHE36 4.4 5.2 1.0 C A:PHE36 4.5 5.6 1.0 OE1 A:GLU35 4.5 6.7 1.0 CD1 A:TRP254 4.5 8.0 1.0 CB A:TRP254 4.5 5.9 1.0 CA A:PHE36 4.5 5.7 1.0 O A:PHE36 4.6 6.2 1.0 CA A:TRP254 4.6 4.5 1.0 OD1 A:ASN87 4.7 6.9 1.0 CA A:ASN87 4.8 5.0 1.0 CG A:ASP37 4.8 8.5 1.0 N A:ASP253 4.9 4.4 1.0 N A:ASP37 4.9 6.0 1.0 O A:HOH672 4.9 29.4 1.0 O A:VAL252 4.9 4.9 1.0 N A:SER86 4.9 6.1 1.0 CG A:TRP254 4.9 6.9 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum


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 A Beta-1,3-Glucanase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:9.8 occ:1.00 O A:HOH511 3.0 19.2 1.0 O A:HOH431 3.1 9.7 1.0 N A:GLY111 3.2 6.3 1.0 NE2 A:HIS114 3.8 13.5 1.0 CA A:GLY110 3.9 5.8 1.0 C A:GLY110 4.0 5.6 1.0 CA A:GLY111 4.1 6.6 1.0 CG B:GLN203 4.2 14.9 1.0 CD2 A:HIS114 4.4 10.8 1.0 CD2 A:LEU31 4.5 10.1 1.0 O A:HOH455 4.5 14.9 1.0 O A:ARG109 4.6 6.8 1.0 C A:GLY111 4.8 6.2 1.0 CE1 A:HIS114 4.8 10.8 1.0 O A:GLY111 4.9 6.9 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum


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 A Beta-1,3-Glucanase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:5.3 occ:1.00 O B:ASP253 2.0 5.4 1.0 O B:SER86 2.1 5.2 1.0 OD1 B:ASP253 2.1 5.7 1.0 O B:GLU35 2.1 5.5 1.0 O B:HOH406 2.1 6.7 1.0 OG B:SER86 2.1 6.5 1.0 CB B:SER86 3.0 7.0 1.0 C B:ASP253 3.0 4.6 1.0 C B:SER86 3.1 5.2 1.0 C B:GLU35 3.2 5.3 1.0 CG B:ASP253 3.2 5.7 1.0 CA B:ASP253 3.5 4.5 1.0 CA B:SER86 3.5 6.0 1.0 CA B:GLU35 3.8 5.2 1.0 CB B:ASP253 3.9 4.9 1.0 O B:HOH515 4.0 17.8 1.0 OD2 B:ASP253 4.1 7.1 1.0 N B:TRP254 4.2 4.7 1.0 N B:PHE36 4.2 5.2 1.0 CB B:GLU35 4.2 5.9 1.0 OD1 B:ASP37 4.3 9.0 1.0 N B:ASN87 4.3 4.9 1.0 CB B:PHE36 4.4 5.2 1.0 OE1 B:GLU35 4.5 7.5 1.0 CB B:TRP254 4.5 5.8 1.0 C B:PHE36 4.5 5.3 1.0 CA B:PHE36 4.5 5.1 1.0 CD1 B:TRP254 4.6 6.7 1.0 CA B:TRP254 4.6 5.1 1.0 O B:PHE36 4.7 6.0 1.0 OD1 B:ASN87 4.7 6.4 1.0 O B:HOH619 4.7 27.9 1.0 CA B:ASN87 4.7 4.8 1.0 O B:HOH606 4.7 38.1 1.0 N B:ASP253 4.9 4.0 1.0 O B:VAL252 4.9 4.9 1.0 N B:SER86 4.9 6.2 1.0 CG B:ASP37 4.9 7.9 1.0 N B:ASP37 4.9 5.9 1.0 CG B:TRP254 5.0 6.1 1.0

D.M.Dranow, D.R.Davies, T.E.Edwards, D.Lorimer, Seattle Structural Genomics Center For Infectious Disease. Crystal Structure of A Beta-1,3-Glucanase From Mycobacterium Marinum To Be Published.