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Magnesium in PDB 3kws: Crystal Structure of Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution

Protein crystallography data

The structure of Crystal Structure of Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution, PDB code: 3kws was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.37 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.573, 107.200, 113.146, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 18.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution (pdb code 3kws). 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 Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution, PDB code: 3kws:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3kws

Go back to Magnesium Binding Sites List in 3kws
Magnesium binding site 1 out of 2 in the Crystal Structure of Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution


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 Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:8.1
occ:1.00
OE2 A:GLU287 2.0 10.1 0.5
OE2 A:GLU190 2.0 7.4 1.0
OD2 A:ASP223 2.1 5.0 1.0
OE1 A:GLU287 2.2 2.3 0.5
O A:HOH416 2.2 8.3 1.0
ND1 A:HIS249 2.2 5.5 1.0
O A:HOH587 2.2 11.5 1.0
CE1 A:HIS249 3.0 7.4 1.0
CD A:GLU190 3.0 8.5 1.0
CD A:GLU287 3.1 10.3 0.5
CD A:GLU287 3.1 5.9 0.5
CG A:ASP223 3.2 5.9 1.0
CG A:HIS249 3.3 4.1 1.0
OE1 A:GLU190 3.4 9.7 1.0
OE2 A:GLU287 3.5 5.3 0.5
OE1 A:GLU287 3.5 11.4 0.5
CB A:ASP223 3.7 5.7 1.0
CB A:HIS249 3.8 5.3 1.0
O A:HOH747 4.2 33.4 1.0
NE2 A:HIS249 4.2 5.5 1.0
OD1 A:ASP223 4.2 6.5 1.0
NH2 A:ARG256 4.3 14.3 1.0
CD2 A:HIS226 4.3 6.0 1.0
CG A:GLU190 4.4 6.5 1.0
O A:HOH439 4.4 10.2 1.0
CG A:GLU287 4.4 8.2 0.5
CD2 A:HIS249 4.4 5.9 1.0
CG A:GLU287 4.4 6.1 0.5
NE2 A:HIS226 4.4 6.3 1.0
CE A:MSE221 4.5 5.7 1.0
CB A:GLU287 4.6 7.8 0.5
CB A:GLU287 4.6 7.2 0.5

Magnesium binding site 2 out of 2 in 3kws

Go back to Magnesium Binding Sites List in 3kws
Magnesium binding site 2 out of 2 in the Crystal Structure of Putative Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution


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 Sugar Isomerase (YP_001305149.1) From Parabacteroides Distasonis Atcc 8503 at 1.68 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:6.0
occ:1.00
OE2 B:GLU190 2.0 5.7 1.0
OD2 B:ASP223 2.0 5.2 1.0
OE1 B:GLU287 2.0 8.0 0.5
OE1 B:GLU287 2.1 3.0 0.5
O B:HOH507 2.2 9.4 1.0
O B:HOH768 2.2 7.1 1.0
ND1 B:HIS249 2.3 4.8 1.0
CD B:GLU190 3.0 6.9 1.0
CE1 B:HIS249 3.1 5.6 1.0
CD B:GLU287 3.1 8.5 0.5
CD B:GLU287 3.1 5.6 0.5
CG B:ASP223 3.2 6.0 1.0
CG B:HIS249 3.4 3.6 1.0
OE1 B:GLU190 3.4 7.6 1.0
OE2 B:GLU287 3.5 9.5 0.5
OE2 B:GLU287 3.5 3.2 0.5
CB B:ASP223 3.8 6.4 1.0
CB B:HIS249 3.8 4.7 1.0
O B:HOH595 4.2 31.2 1.0
OD1 B:ASP223 4.2 7.5 1.0
NE2 B:HIS249 4.2 6.3 1.0
NH2 B:ARG256 4.3 11.6 1.0
CG B:GLU287 4.3 5.3 0.5
O B:HOH482 4.3 10.2 1.0
CG B:GLU287 4.4 6.9 0.5
CG B:GLU190 4.4 5.5 1.0
CD2 B:HIS226 4.4 6.1 1.0
CD2 B:HIS249 4.4 4.1 1.0
O B:HOH721 4.4 31.9 1.0
CE B:MSE221 4.4 7.0 1.0
NE2 B:HIS226 4.5 4.8 1.0
CB B:GLU287 4.6 5.7 0.5
CB B:GLU287 4.6 6.1 0.5

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sun Aug 10 23:59:02 2025

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