Magnesium in PDB 2qee: Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125

The structure of Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125, PDB code: 2qee was solved by V.N.Malashkevich, R.Toro, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	121.995, 122.208, 127.582, 78.85, 78.95, 80.92
R / Rfree (%)	18.7 / 22.4

The structure of Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 also contains other interesting chemical elements:

Chlorine	(Cl)	16 atoms
Zinc	(Zn)	12 atoms

The binding sites of Magnesium atom in the Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 (pdb code 2qee). 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 Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125, PDB code: 2qee:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125


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 Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg5018 b:14.9 occ:1.00 O B:HOH5155 2.1 11.4 1.0 O A:HOH5130 2.1 12.0 1.0 O A:HOH5131 2.1 13.4 1.0 O C:HOH5174 2.1 12.4 1.0 O B:HOH5156 2.1 13.8 1.0 O C:HOH5175 2.1 13.6 1.0 OE2 B:GLU332 3.7 15.2 1.0 OE2 A:GLU332 3.8 14.4 1.0 OE2 C:GLU332 3.8 14.4 1.0 O A:HOH5033 4.1 12.5 1.0 O C:HOH5028 4.1 13.3 1.0 O B:HOH5043 4.2 13.3 1.0 O C:HOH5165 4.2 43.4 1.0 OE2 A:GLU336 4.3 13.4 1.0 OE2 C:GLU336 4.3 15.7 1.0 OE2 B:GLU336 4.3 13.4 1.0 CD B:GLU332 4.8 18.4 1.0 CD A:GLU332 4.8 14.2 1.0 CD C:GLU332 4.8 12.2 1.0 CB A:GLU336 4.9 13.1 1.0 CB C:GLU336 5.0 10.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125


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 Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg5019 b:15.7 occ:1.00 O D:HOH5125 2.1 13.7 1.0 O F:HOH5060 2.1 13.4 1.0 O E:HOH5159 2.1 14.8 1.0 O E:HOH5160 2.1 13.1 1.0 O D:HOH5124 2.1 13.3 1.0 O F:HOH5150 2.1 14.3 1.0 OE2 F:GLU332 3.8 14.6 1.0 OE2 E:GLU332 3.8 14.2 1.0 OE2 D:GLU332 3.8 15.6 1.0 O F:HOH5030 4.2 13.7 1.0 O E:HOH5039 4.2 12.9 1.0 O D:HOH5038 4.2 15.3 1.0 OE2 F:GLU336 4.3 13.7 1.0 OE2 D:GLU336 4.3 13.9 1.0 OE2 E:GLU336 4.3 14.2 1.0 O F:HOH5143 4.3 31.2 1.0 CD F:GLU332 4.8 15.9 1.0 CD E:GLU332 4.8 13.6 1.0 CD D:GLU332 4.9 18.1 1.0 CB F:GLU336 4.9 12.6 1.0 CB D:GLU336 5.0 11.6 1.0 CB E:GLU336 5.0 14.4 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125


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 Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg5017 b:15.7 occ:1.00 O G:HOH5118 2.0 13.2 1.0 O I:HOH5120 2.1 14.6 1.0 O I:HOH5119 2.1 14.9 1.0 O H:HOH5145 2.1 14.1 1.0 O G:HOH5119 2.1 13.9 1.0 O H:HOH5061 2.2 15.6 1.0 OE2 H:GLU332 3.7 17.5 1.0 OE2 I:GLU332 3.8 14.7 1.0 OE2 G:GLU332 3.8 16.5 1.0 O H:HOH5040 4.1 14.4 1.0 O I:HOH5039 4.2 17.0 1.0 O G:HOH5050 4.2 14.3 1.0 O I:HOH5385 4.2 40.9 1.0 OE2 I:GLU336 4.3 15.5 1.0 OE2 H:GLU336 4.3 14.4 1.0 OE2 G:GLU336 4.3 14.6 1.0 CD H:GLU332 4.8 15.8 1.0 CD G:GLU332 4.9 15.3 1.0 CD I:GLU332 4.9 15.1 1.0 CB H:GLU336 4.9 13.3 1.0 CB I:GLU336 5.0 15.0 1.0 CB G:GLU336 5.0 14.8 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125


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 Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125 within 5.0Å range: probe atom residue distance (Å) B Occ J:Mg5020 b:18.0 occ:1.00 O K:HOH5110 2.1 15.3 1.0 O J:HOH5102 2.1 15.3 1.0 O J:HOH5101 2.1 15.8 1.0 O K:HOH5052 2.1 15.7 1.0 O L:HOH5050 2.1 14.3 1.0 O L:HOH5056 2.2 15.4 1.0 OE2 K:GLU332 3.7 18.3 1.0 OE2 J:GLU332 3.8 17.8 1.0 OE2 L:GLU332 3.8 19.1 1.0 O J:HOH5051 4.1 15.8 1.0 O L:HOH5052 4.2 17.2 1.0 OE2 J:GLU336 4.2 17.6 1.0 O K:HOH5034 4.2 17.1 1.0 OE2 K:GLU336 4.3 15.6 1.0 OE2 L:GLU336 4.3 15.2 1.0 CD K:GLU332 4.8 16.7 1.0 CD J:GLU332 4.9 18.5 1.0 CD L:GLU332 4.9 17.4 1.0 CB K:GLU336 4.9 15.9 1.0 CB J:GLU336 5.0 15.1 1.0 CB L:GLU336 5.0 15.8 1.0

V.N.Malashkevich, R.Toro, S.Wasserman, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Putative Amidohydrolase BH0493 From Bacillus Halodurans C-125. To Be Published.