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Magnesium in PDB 4p0g: Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide

Protein crystallography data

The structure of Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide, PDB code: 4p0g was solved by E.Redden, A.M.W.H.Thunnissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.58 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.325, 82.239, 95.207, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 18.7

Other elements in 4p0g:

The structure of Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide (pdb code 4p0g). 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 Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide, PDB code: 4p0g:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4p0g

Go back to Magnesium Binding Sites List in 4p0g
Magnesium binding site 1 out of 3 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide


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 Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:11.3
occ:1.00
OD1 A:ASP88 2.0 12.2 1.0
O A:HOH660 2.1 11.4 1.0
O A:HOH1009 2.1 10.8 1.0
O A:HOH718 2.1 11.8 1.0
CG A:ASP88 3.0 11.7 1.0
OD2 A:ASP88 3.4 11.9 1.0
O A:ALA182 4.2 12.7 1.0
OE2 A:GLU184 4.2 11.1 1.0
O A:HOH647 4.2 17.8 1.0
CB A:ASP88 4.3 11.5 1.0
O A:ASP88 4.3 10.4 1.0
O A:HOH645 4.3 23.8 1.0
O A:HOH633 4.4 11.7 1.0
CA A:ASP88 4.5 9.3 1.0
C A:ALA182 4.7 10.2 1.0
CG A:GLU184 4.8 11.1 1.0
C A:ASP88 4.9 8.7 1.0
CD A:GLU184 5.0 11.7 1.0

Magnesium binding site 2 out of 3 in 4p0g

Go back to Magnesium Binding Sites List in 4p0g
Magnesium binding site 2 out of 3 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide


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 Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg505

b:13.2
occ:1.00
O A:GLY109 2.0 10.1 1.0
O A:HOH1008 2.1 11.3 1.0
O A:HOH1005 2.1 10.4 1.0
O A:HOH1004 2.1 11.7 1.0
O A:HOH1006 2.1 10.2 1.0
O A:HOH1007 2.1 10.3 1.0
C A:GLY109 3.1 9.6 1.0
OD2 A:ASP203 3.6 11.7 1.0
CA A:GLY109 3.8 9.8 1.0
OE1 A:GLU206 3.9 12.0 1.0
O A:ALA108 4.0 10.1 1.0
N A:LEU110 4.1 8.3 1.0
O A:HOH816 4.1 13.5 1.0
O A:HOH838 4.2 12.2 1.0
O A:HOH862 4.2 14.4 1.0
O A:HOH827 4.2 11.1 1.0
O A:HOH878 4.3 13.2 1.0
CA A:LEU110 4.4 10.6 1.0
O A:HOH1088 4.4 6.3 1.0
O A:HOH844 4.6 13.6 1.0
CD2 A:LEU229 4.7 14.0 1.0
N A:THR111 4.7 11.4 1.0
CD A:GLU206 4.8 14.1 1.0
OG1 A:THR111 4.8 11.8 1.0
CG A:ASP203 4.8 10.8 1.0
C A:LEU110 4.8 11.5 1.0
N A:GLY109 4.8 6.6 1.0
C A:ALA108 4.8 7.5 1.0

Magnesium binding site 3 out of 3 in 4p0g

Go back to Magnesium Binding Sites List in 4p0g
Magnesium binding site 3 out of 3 in the Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide


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 Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg506

b:23.6
occ:1.00
O A:HOH1204 2.1 31.8 1.0
NE2 A:HIS392 2.1 16.2 1.0
O A:HOH1014 2.1 31.7 1.0
O A:HOH1013 2.1 23.3 1.0
O A:HOH1012 2.1 24.0 1.0
O A:HOH1015 2.1 24.8 1.0
CE1 A:HIS392 3.0 16.5 1.0
CD2 A:HIS392 3.0 21.2 1.0
O A:HOH1117 4.0 37.2 1.0
ND1 A:HIS392 4.1 15.3 1.0
O A:TYR433 4.1 15.3 1.0
O A:HOH685 4.1 17.4 1.0
CG A:HIS392 4.2 14.6 1.0
O6 A:BLG501 4.6 34.3 1.0
O A:HOH945 4.7 33.1 1.0
CB A:ALA434 4.9 20.6 1.0

Reference:

E.Redden, A.M.W.H.Thunnissen. Crystal Structure of Mltf From Pseudomonas Aeruginosa Complexed with Bulgecin and Muropeptide To Be Published.
Page generated: Tue Aug 20 01:03:22 2024

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