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Magnesium in PDB 4mpb: 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus

Enzymatic activity of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus

All present enzymatic activity of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus:
1.2.1.8;

Protein crystallography data

The structure of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus, PDB code: 4mpb was solved by A.S.Halavaty, L.Shuvalova, G.Minasov, I.Dubrovska, J.Winsor, S.N.Peterson, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.79 / 1.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 106.313, 118.570, 87.947, 90.00, 90.00, 90.00
R / Rfree (%) 13.8 / 17.5

Other elements in 4mpb:

The structure of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus (pdb code 4mpb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus, PDB code: 4mpb:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 4mpb

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Magnesium binding site 1 out of 5 in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:38.7
occ:1.00
 O A:HOH693 2.0 23.2 1.0
O A:HOH679 2.1 23.5 1.0
O A:HOH1012 2.2 37.9 1.0
O A:HOH842 2.2 26.4 1.0
O A:HOH709 2.3 26.1 1.0
O A:VAL249 2.4 21.2 1.0
C A:VAL249 3.5 19.5 1.0
CA A:THR250 3.7 15.1 1.0
O A:ASN248 3.9 20.3 1.0
N A:THR250 4.0 15.1 1.0
ND2 A:ASN251 4.3 27.9 1.0
O A:ASP227 4.4 14.3 1.0
OG1 A:THR250 4.4 16.6 1.0
N A:ASN251 4.5 15.2 1.0
O A:VAL226 4.6 16.6 1.0
CB A:THR250 4.6 16.9 1.0
CA A:VAL249 4.6 19.8 1.0
OD1 A:ASP227 4.6 19.5 1.0
CA A:ASP227 4.6 14.8 1.0
C A:THR250 4.6 15.9 1.0
CB A:VAL249 4.7 19.2 1.0
C A:ASN248 4.9 18.8 1.0
C A:ASP227 4.9 14.7 1.0
O A:HOH668 4.9 25.0 1.0
CG1 A:VAL249 5.0 24.2 1.0

Magnesium binding site 2 out of 5 in 4mpb

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Magnesium binding site 2 out of 5 in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:44.2
occ:1.00
 O A:HOH1015 2.0 43.5 1.0
O A:HOH916 2.0 31.5 1.0
O A:HOH1017 2.2 35.4 1.0
O A:HOH1018 2.2 41.3 1.0
O A:HOH1016 2.2 40.1 1.0
O A:HOH1255 3.8 48.4 1.0
O A:HOH690 4.2 24.8 1.0
O A:HOH635 4.3 23.1 1.0
O A:HOH1028 4.4 39.4 1.0
O A:HOH1030 4.5 50.0 1.0
O A:HOH1021 4.5 45.8 1.0
O A:HOH1019 4.5 40.7 1.0
O A:HIS6 4.7 29.9 1.0
NH1 A:ARG191 4.8 22.6 1.0
OE1 A:GLU194 5.0 23.6 1.0

Magnesium binding site 3 out of 5 in 4mpb

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Magnesium binding site 3 out of 5 in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:50.9
occ:1.00
 O A:HOH1026 2.1 36.7 1.0
O A:HOH1023 2.1 39.2 1.0
O A:HOH1024 2.2 30.7 1.0
O A:HOH1025 2.3 28.2 1.0
O A:HOH1203 2.3 49.0 1.0
O A:HOH1230 4.1 16.7 0.3
O A:HOH769 4.1 26.2 0.5
O A:HOH1221 4.3 36.9 1.0
O A:HOH769 4.3 20.6 0.5
O A:HOH681 4.3 22.5 1.0
O A:HOH697 4.4 27.5 1.0
OD1 A:ASP132 4.5 48.4 1.0
O A:HOH795 4.5 29.8 1.0

Magnesium binding site 4 out of 5 in 4mpb

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Magnesium binding site 4 out of 5 in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:33.9
occ:1.00
 O B:HOH1085 2.0 20.6 1.0
O B:HOH1144 2.0 22.7 1.0
O B:HOH1195 2.2 22.1 1.0
O B:HOH1109 2.2 24.0 1.0
O B:HOH1435 2.3 36.1 1.0
O B:VAL249 2.6 24.1 1.0
C B:VAL249 3.6 17.6 1.0
CA B:THR250 3.8 13.4 1.0
O B:ASN248 3.9 19.1 1.0
N B:THR250 4.1 14.5 1.0
O B:ASP227 4.3 12.4 1.0
ND2 B:ASN251 4.4 29.6 1.0
O B:HOH1277 4.4 39.3 1.0
OG1 B:THR250 4.4 14.7 1.0
OD1 B:ASP227 4.5 19.4 1.0
O B:VAL226 4.5 14.0 1.0
CA B:ASP227 4.5 12.3 1.0
N B:ASN251 4.6 11.6 1.0
CB B:THR250 4.7 13.1 1.0
CB B:VAL249 4.7 15.3 1.0
CA B:VAL249 4.7 16.6 1.0
C B:THR250 4.7 15.0 1.0
O B:HOH1164 4.8 31.6 1.0
O B:HOH1103 4.8 17.8 0.8
C B:ASP227 4.9 11.6 1.0
C B:ASN248 4.9 16.6 1.0
CG1 B:VAL249 5.0 17.2 1.0

Magnesium binding site 5 out of 5 in 4mpb

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Magnesium binding site 5 out of 5 in the 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:49.5
occ:1.00
 O B:HOH1190 1.9 34.4 1.0
O B:HOH1212 2.1 28.2 1.0
O B:HOH1441 2.1 43.4 1.0
O B:HOH1306 2.2 44.2 1.0
O B:HOH1440 2.4 34.1 1.0
O B:HOH1442 4.2 41.9 1.0
O B:LYS5 4.2 24.2 0.5
O B:HOH1385 4.3 44.4 1.0
O B:LYS5 4.3 23.9 0.5
CA B:HIS6 4.5 23.1 1.0
ND1 B:HIS6 4.5 31.2 1.0
O B:HIS6 4.6 24.0 1.0
C B:HIS6 4.8 21.7 1.0

Reference:

A.S.Halavaty, L.Shuvalova, G.Minasov, I.Dubrovska, J.Winsor, S.N.Peterson, W.F.Anderson. 1.7 Angstrom Resolution Crystal Structure of Betaine Aldehyde Dehydrogenase (Betb) From Staphylococcus Aureus To Be Published.
Page generated: Mon Aug 19 23:17:11 2024

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