Magnesium in PDB 4hcq: Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate

All present enzymatic activity of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate:
2.3.1.157; 2.7.7.23;

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate, PDB code: 4hcq was solved by P.K.A.Jagtap, S.K.Verma, N.Vithani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	79.270, 79.270, 276.730, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 26.5

The structure of Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate (pdb code 4hcq). 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 Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate, PDB code: 4hcq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate


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 Glucosamine-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:28.9 occ:0.33 O A:HOH687 2.2 28.6 1.0 OD1 A:ASP417 2.2 29.8 1.0 CG A:ASP417 3.3 26.1 1.0 CO A:CO503 3.5 37.3 0.3 OG A:SER392 3.9 23.3 1.0 OD2 A:ASP417 4.0 32.9 1.0 O A:SER392 4.0 16.5 1.0 CE A:MET419 4.1 23.6 1.0 CB A:ASP417 4.3 21.8 1.0 CB A:SER392 4.6 20.4 1.0 CA A:ASP417 4.7 21.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Glmu From Mycobacterium Tuberculosis in Complex with Glucosamine-1-Phosphate


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 Glucosamine-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:57.2 occ:1.00 O A:HOH602 2.0 0.3 1.0 O A:HOH605 2.3 62.8 1.0 O A:HOH604 2.5 44.0 1.0 OD2 A:ASP114 2.5 36.8 1.0 OD1 A:ASN239 2.8 34.7 1.0 OP1 A:GN1502 3.2 44.7 1.0 CG A:ASP114 3.5 32.8 1.0 CG A:ASN239 3.6 34.4 1.0 ND2 A:ASN239 3.7 32.8 1.0 OD1 A:ASP114 3.8 36.1 1.0 NZ A:LYS26 3.8 28.5 1.0 O6' A:GN1502 3.9 34.8 1.0 O A:HOH601 4.0 28.4 1.0 O A:VAL238 4.4 33.3 1.0 N A:VAL238 4.6 30.9 1.0 P A:GN1502 4.7 48.6 1.0 C A:VAL238 4.7 31.8 1.0 CB A:ASP114 4.8 29.2 1.0 O5' A:GN1502 4.8 43.4 1.0 CA A:GLY237 4.8 30.2 1.0 C A:GLY237 4.9 31.4 1.0 CB A:ASN239 4.9 33.2 1.0

P.K.A.Jagtap, S.K.Verma, N.Vithani, V.S.Bais, B.Prakash. Crystal Structures Identify An Atypical Two-Metal-Ion Mechanism For Uridyltransfer in Glmu: Its Significance to Sugar Nucleotidyl Transferases J.Mol.Biol. V. 425 1745 2013.
ISSN: ISSN 0022-2836
PubMed: 23485416
DOI: 10.1016/J.JMB.2013.02.019