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Magnesium in PDB 4g3s: Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

Enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2

All present enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2:
2.3.1.157; 2.7.7.23;

Protein crystallography data

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2, PDB code: 4g3s was solved by P.A.Jagtap, S.K.Verma, B.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.94 / 2.04
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 76.580, 76.580, 276.970, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 23

Other elements in 4g3s:

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 (pdb code 4g3s). 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 Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2, PDB code: 4g3s:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 4g3s

Go back to Magnesium Binding Sites List in 4g3s
Magnesium binding site 1 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2


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 Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg504

b:12.0
occ:0.33
 O A:HOH606 1.8 29.4 1.0
OD1 A:ASP417 2.6 23.4 1.0
CG A:ASP417 3.2 26.2 1.0
CO A:CO507 3.3 41.1 0.3
OD2 A:ASP417 3.6 28.5 1.0
OG A:SER392 4.2 26.6 1.0
CB A:ASP417 4.3 22.7 1.0
O A:SER392 4.7 22.8 1.0
CA A:ASP417 5.0 24.1 1.0

Magnesium binding site 2 out of 3 in 4g3s

Go back to Magnesium Binding Sites List in 4g3s
Magnesium binding site 2 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2


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 Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg505

b:31.1
occ:0.53
 MG A:MG505 0.0 31.1 0.5
O A:HOH969 2.1 37.3 1.0
O6 A:POP503 2.3 20.9 0.5
O3 A:POP503 2.5 24.6 0.5
O A:HOH782 2.8 29.8 0.5
O6 A:POP503 2.9 20.3 0.5
O A:HOH970 3.0 24.6 1.0
P2 A:POP503 3.3 25.4 0.5
O5 A:POP503 3.3 20.1 0.5
O A:HOH957 3.4 39.6 1.0
NH2 A:ARG19 3.6 24.6 1.0
NE A:ARG19 3.6 24.8 1.0
CZ A:ARG19 3.7 26.4 1.0
P1 A:POP503 3.7 28.9 0.5
P2 A:POP503 3.7 26.3 0.5
O4 A:POP503 3.8 25.3 0.5
MG A:MG505 3.8 27.7 0.5
O A:POP503 4.0 24.7 0.5
NE2 A:GLN205 4.0 40.1 1.0
O5 A:POP503 4.0 24.5 0.5
O1 A:POP503 4.1 28.2 0.5
O A:HOH829 4.3 54.4 1.0
CD A:ARG19 4.4 22.0 1.0
NH1 A:ARG19 4.4 22.5 1.0
O4 A:POP503 4.6 22.7 0.5
O1A A:UD1501 4.9 31.9 1.0
O2 A:POP503 4.9 25.1 0.5
CD A:GLN205 4.9 39.3 1.0
OG1 A:THR18 5.0 32.9 1.0

Magnesium binding site 3 out of 3 in 4g3s

Go back to Magnesium Binding Sites List in 4g3s
Magnesium binding site 3 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2


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 Glmu From Mycobacterium Tuberculosis in Complex with Uridine-Diphosphate-N-Acetylglucosamine and Pyrophosphate Snapshot 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg505

b:27.7
occ:0.47
 MG A:MG505 0.0 27.7 0.5
O A:HOH970 1.8 24.6 1.0
O1A A:UD1501 2.0 31.9 1.0
O A:HOH969 2.1 37.3 1.0
O3 A:POP503 2.2 25.1 0.5
O A:HOH971 2.3 30.1 1.0
O6 A:POP503 2.3 20.3 0.5
O3 A:POP503 2.5 24.6 0.5
P1 A:POP503 3.3 24.6 0.5
PA A:UD1501 3.5 29.5 1.0
O1 A:POP503 3.5 25.8 0.5
P2 A:POP503 3.6 26.3 0.5
P1 A:POP503 3.6 28.9 0.5
O2 A:POP503 3.6 25.1 0.5
O6 A:POP503 3.7 20.9 0.5
MG A:MG505 3.8 31.1 0.5
O A:POP503 3.9 24.8 0.5
O5B A:UD1501 4.0 23.6 1.0
NH2 A:ARG19 4.1 24.6 1.0
O4 A:POP503 4.2 25.3 0.5
O3A A:UD1501 4.3 21.7 1.0
OE1 A:GLU207 4.4 35.9 1.0
O A:POP503 4.4 24.7 0.5
O2B A:UD1501 4.5 26.0 1.0
OE2 A:GLU207 4.5 33.1 1.0
O2A A:UD1501 4.5 33.2 1.0
C5 A:UD1501 4.6 30.8 1.0
O2 A:POP503 4.6 25.3 0.5
NE2 A:GLN205 4.6 40.1 1.0
C6 A:UD1501 4.7 26.6 1.0
O5 A:POP503 4.7 24.5 0.5
P2 A:POP503 4.7 25.4 0.5
O1 A:POP503 4.8 28.2 0.5
CD A:GLU207 4.9 35.8 1.0
CD A:PRO16 5.0 26.6 1.0

Reference:

P.A.Jagtap, S.K.Verma, B.Prakash. Structural Snapshots of Glmu From Mycobacterium Tuberculosis To Be Published.
Page generated: Fri Aug 16 15:22:26 2024

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