Magnesium in PDB 4wec: Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec was solved by Seattle Structural 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)	41.33 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.900, 96.640, 81.540, 90.00, 101.94, 90.00
R / Rfree (%)	16.5 / 19.6

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis (pdb code 4wec). 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 A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:28.3 occ:1.00 O A:HOH719 2.1 62.1 1.0 O A:HOH525 2.1 44.9 1.0 O A:HOH626 2.1 32.0 1.0 O A:SER92 2.2 25.5 1.0 OG A:SER92 2.3 29.9 1.0 C A:SER92 3.3 22.9 1.0 CB A:SER92 3.3 26.9 1.0 CA A:SER92 3.8 22.8 1.0 O A:HOH519 4.3 34.4 1.0 N A:PRO93 4.4 21.3 1.0 OE1 A:GLN153 4.5 36.4 1.0 N A:SER92 4.5 17.8 1.0 NE2 A:GLN153 4.6 27.9 1.0 CA A:PRO93 4.7 22.4 1.0 C A:PRO93 4.9 21.3 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:24.4 occ:1.00 O B:HOH574 2.1 55.4 1.0 O B:HOH676 2.1 65.6 1.0 O B:HOH528 2.1 32.3 1.0 O B:SER92 2.2 24.4 1.0 OG B:SER92 2.3 30.9 1.0 C B:SER92 3.3 21.1 1.0 CB B:SER92 3.4 21.0 1.0 CA B:SER92 3.9 19.8 1.0 O B:HOH543 4.2 32.0 1.0 N B:PRO93 4.4 18.0 1.0 OE1 B:GLN153 4.5 31.2 1.0 N B:SER92 4.5 19.6 1.0 NE2 B:GLN153 4.7 29.5 1.0 O B:HOH664 4.7 48.1 1.0 CA B:PRO93 4.7 17.6 1.0 C B:PRO93 4.9 23.6 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:30.9 occ:1.00 O C:HOH497 2.1 35.4 1.0 O C:HOH593 2.1 45.2 1.0 O C:HOH577 2.1 42.8 1.0 O C:SER92 2.2 29.3 1.0 OG C:SER92 2.3 30.6 1.0 C C:SER92 3.2 25.7 1.0 CB C:SER92 3.3 29.4 1.0 CA C:SER92 3.8 26.9 1.0 N C:PRO93 4.3 26.4 1.0 O C:HOH445 4.4 38.2 1.0 N C:SER92 4.5 24.4 1.0 NE2 C:GLN153 4.5 37.3 1.0 OE1 C:GLN153 4.6 36.4 1.0 CA C:PRO93 4.6 27.1 1.0 C C:PRO93 4.8 26.5 1.0 CD C:GLN153 5.0 34.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


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 A Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:54.8 occ:1.00 OG D:SER92 2.1 46.0 1.0 O D:SER92 2.2 29.4 1.0 C D:SER92 3.2 29.1 1.0 CB D:SER92 3.3 32.3 1.0 CA D:SER92 3.7 29.7 1.0 O D:HOH493 4.1 47.0 1.0 N D:SER92 4.3 31.1 1.0 N D:PRO93 4.4 30.9 1.0 NE2 D:GLN153 4.4 59.3 1.0 CA D:PRO93 4.8 34.4 1.0 OE1 D:GLN153 4.9 58.1 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, B.Sankaran, D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis To Be Published.