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Magnesium in PDB 4lc8: Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp

Enzymatic activity of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp

All present enzymatic activity of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp, PDB code: 4lc8 was solved by A.A.Fedorov, E.V.Fedorov, B.Desai, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.55 / 1.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.958, 63.703, 61.740, 90.00, 115.30, 90.00
R / Rfree (%) 16.1 / 17.8

Other elements in 4lc8:

The structure of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp (pdb code 4lc8). 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 the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp, PDB code: 4lc8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4lc8

Go back to Magnesium Binding Sites List in 4lc8
Magnesium binding site 1 out of 2 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


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 the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg305

b:19.8
occ:0.45
 O B:HOH655 2.0 27.7 1.0
O A:HOH653 2.0 33.5 1.0
O B:HOH667 2.0 31.5 1.0
O A:HOH622 2.2 43.4 1.0
O A:HOH546 2.6 35.3 1.0
OD1 A:ASP54 4.2 29.9 1.0
O B:HOH520 4.2 25.4 1.0
O B:SER50 4.4 15.2 1.0
O A:HOH468 4.7 24.0 1.0
CG A:ASP54 4.9 27.9 1.0
OD2 A:ASP54 4.9 33.7 1.0

Magnesium binding site 2 out of 2 in 4lc8

Go back to Magnesium Binding Sites List in 4lc8
Magnesium binding site 2 out of 2 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


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 the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg305

b:14.4
occ:0.46
 O B:HOH455 2.0 21.6 1.0
O B:SER221 2.0 17.1 1.0
O B:HOH539 2.1 29.7 1.0
O B:HOH535 2.1 27.4 1.0
O B:HOH484 2.2 24.8 1.0
O B:HOH595 2.2 25.7 1.0
C B:SER221 3.2 16.3 1.0
O B:HOH658 3.5 27.2 1.0
O B:HOH587 3.9 29.9 1.0
O B:HOH590 4.1 27.9 1.0
CA B:SER221 4.1 14.2 1.0
O B:HOH567 4.1 21.3 1.0
O B:HOH446 4.2 15.2 1.0
N B:ILE222 4.2 12.6 1.0
O B:HOH427 4.3 13.7 1.0
CA B:ILE222 4.3 14.0 1.0
O B:HOH662 4.3 25.7 1.0
CB B:SER221 4.6 15.9 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, B.Desai, J.A.Gerlt, S.C.Almo. Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp To Be Published.
Page generated: Sat Aug 17 04:52:40 2024

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