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Magnesium in PDB 3spt: Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine

Enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine

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

Protein crystallography data

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine, PDB code: 3spt was solved by P.A.Jagtap, B.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.68 / 2.33
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 110.194, 110.194, 361.295, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 22.4

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 3 in 3spt

Go back to Magnesium Binding Sites List in 3spt
Magnesium binding site 1 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine


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 Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg497

b:34.4
occ:1.00
 O2A A:UD1498 2.1 20.0 1.0
O A:HOH711 2.2 37.4 1.0
OD1 A:ASN239 2.2 34.5 1.0
OD2 A:ASP114 2.2 35.7 1.0
O A:HOH712 2.2 33.5 1.0
O1B A:UD1498 2.4 20.0 1.0
CG A:ASP114 3.0 32.9 1.0
OD1 A:ASP114 3.2 35.0 1.0
CG A:ASN239 3.2 30.9 1.0
PA A:UD1498 3.5 20.0 1.0
ND2 A:ASN239 3.6 33.1 1.0
PB A:UD1498 3.7 20.0 1.0
NZ A:LYS26 3.9 29.9 1.0
O3A A:UD1498 3.9 20.0 1.0
O6' A:UD1498 4.0 20.0 1.0
CB A:ASP114 4.4 29.0 1.0
O5B A:UD1498 4.4 20.0 1.0
C5B A:UD1498 4.5 20.0 1.0
O A:VAL238 4.5 31.4 1.0
O3B A:UD1498 4.5 20.0 1.0
CB A:ASN239 4.6 30.9 1.0
O1A A:UD1498 4.6 20.0 1.0
O5' A:UD1498 4.6 20.0 1.0
C A:VAL238 4.6 31.8 1.0
C3B A:UD1498 4.7 20.0 1.0
O2B A:UD1498 4.8 20.0 1.0
N A:ASN239 4.8 30.1 1.0
O1' A:UD1498 4.8 20.0 1.0
CA A:ASN239 4.8 30.1 1.0
N A:VAL238 4.9 29.7 1.0
CE A:LYS26 4.9 30.2 1.0
NH2 A:ARG19 4.9 58.3 1.0
C4B A:UD1498 5.0 20.0 1.0

Magnesium binding site 2 out of 3 in 3spt

Go back to Magnesium Binding Sites List in 3spt
Magnesium binding site 2 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine


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 Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg499

b:2.0
occ:0.33
 O A:HOH501 1.7 18.1 1.0
OD1 A:ASP417 2.5 24.5 1.0
CG A:ASP417 3.3 26.1 1.0
OD2 A:ASP417 3.9 27.1 1.0
OG A:SER392 4.1 19.8 1.0
O A:HOH534 4.2 42.2 1.0
CB A:ASP417 4.4 22.9 1.0
O A:SER392 4.7 20.6 1.0
CB A:SER392 4.9 17.2 1.0

Magnesium binding site 3 out of 3 in 3spt

Go back to Magnesium Binding Sites List in 3spt
Magnesium binding site 3 out of 3 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine


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 Acetyl Coenzyme A and Uridine-Diphosphate-N-Acetylglucosamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg500

b:23.9
occ:0.33
 O A:HOH582 3.2 30.3 1.0
CA A:ALA451 3.7 24.4 1.0
N A:GLY452 4.2 25.2 1.0
CB A:ALA451 4.3 23.0 1.0
C A:ALA451 4.5 25.9 1.0
N A:ALA451 4.6 24.0 1.0
O A:SER450 4.7 27.6 1.0
C A:SER450 4.9 24.7 1.0

Reference:

P.A.Jagtap, S.K.Verma, B.Prakash. Structure of Mycobacterium Tuberculosis Glmu in Complex with Acetyl Coa To Be Published.
Page generated: Thu Aug 15 11:07:00 2024

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