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

Protein crystallography data

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

Other elements in 2qee:

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

Magnesium Binding Sites:

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 2qee

Go back to Magnesium Binding Sites List in 2qee
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 2qee

Go back to Magnesium Binding Sites List in 2qee
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 2qee

Go back to Magnesium Binding Sites List in 2qee
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 2qee

Go back to Magnesium Binding Sites List in 2qee
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

Reference:

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.
Page generated: Mon Dec 14 07:36:25 2020

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