Manganese in PDB 1tvy: Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese

All present enzymatic activity of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese:
2.4.1.22; 2.4.1.38; 2.4.1.90;

The structure of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese, PDB code: 1tvy was solved by B.Ramakrishnan, E.Boeggeman, P.K.Qasba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.60 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.476, 93.894, 145.054, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.6

The binding sites of Manganese atom in the Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese (pdb code 1tvy). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese, PDB code: 1tvy:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:15.5 occ:1.00 O1A A:GDU404 1.9 15.3 1.0 NE2 A:HIS344 2.1 19.6 1.0 OD1 A:ASP254 2.2 14.7 1.0 O A:HOH1007 2.3 11.1 1.0 NE2 A:HIS347 2.3 15.5 1.0 O1B A:GDU404 2.3 15.1 1.0 CE1 A:HIS344 3.0 20.6 1.0 CG A:ASP254 3.1 14.8 1.0 CD2 A:HIS344 3.2 20.0 1.0 CD2 A:HIS347 3.2 16.4 1.0 OD2 A:ASP254 3.3 11.7 1.0 CE1 A:HIS347 3.4 16.6 1.0 PA A:GDU404 3.4 16.4 1.0 PB A:GDU404 3.5 16.7 1.0 O3A A:GDU404 3.6 18.9 1.0 O3B A:GDU404 3.9 12.5 1.0 O2A A:GDU404 4.0 21.6 1.0 O3D A:GDU404 4.1 14.1 1.0 O A:HOH1159 4.1 17.7 1.0 ND1 A:HIS344 4.1 19.0 1.0 CG A:HIS344 4.3 20.3 1.0 O A:HOH1177 4.3 27.2 1.0 CB A:ASP254 4.4 12.9 1.0 NH2 A:ARG191 4.4 15.2 1.0 CG A:HIS347 4.4 18.2 1.0 ND1 A:HIS347 4.4 16.2 1.0 NH1 A:ARG191 4.5 13.8 1.0 O5D A:GDU404 4.6 17.1 1.0 C3D A:GDU404 4.6 14.5 1.0 C5D A:GDU404 4.8 14.0 1.0 O2B A:GDU404 4.8 18.1 1.0 OD2 A:ASP252 4.8 17.9 1.0 NZ A:LYS279 4.9 17.2 1.0 CZ A:ARG191 5.0 15.8 1.0

Manganese binding site 2 out of 2 in the Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Beta-1,4-Galactosyltransferase Mutant MET344HIS (M344H-Gal- T1) Complex with Udp-Galactose and Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn805 b:13.6 occ:1.00 O1A B:GDU806 2.0 17.1 1.0 NE2 B:HIS344 2.2 13.1 1.0 NE2 B:HIS347 2.2 18.4 1.0 OD1 B:ASP254 2.3 17.9 1.0 O1B B:GDU806 2.3 11.7 1.0 O B:HOH1004 2.4 16.3 1.0 CE1 B:HIS344 3.1 12.0 1.0 CG B:ASP254 3.1 17.2 1.0 CD2 B:HIS347 3.2 18.4 1.0 CE1 B:HIS347 3.2 18.1 1.0 CD2 B:HIS344 3.3 13.5 1.0 PA B:GDU806 3.3 18.4 1.0 OD2 B:ASP254 3.4 12.5 1.0 PB B:GDU806 3.4 17.6 1.0 O3A B:GDU806 3.6 17.7 1.0 O3B B:GDU806 3.9 17.7 1.0 O2A B:GDU806 4.0 22.6 1.0 O3D B:GDU806 4.0 15.4 1.0 ND1 B:HIS344 4.3 13.2 1.0 ND1 B:HIS347 4.3 19.1 1.0 CG B:HIS347 4.3 19.6 1.0 O B:HOH1249 4.3 33.9 1.0 CG B:HIS344 4.4 14.7 1.0 O B:HOH1179 4.4 20.3 1.0 CB B:ASP254 4.4 13.3 1.0 NH2 B:ARG191 4.5 9.0 1.0 NH1 B:ARG191 4.5 11.8 1.0 O5D B:GDU806 4.6 19.5 1.0 C3D B:GDU806 4.7 14.1 1.0 OD2 B:ASP252 4.7 16.5 1.0 NZ B:LYS279 4.7 23.6 1.0 O2B B:GDU806 4.7 18.2 1.0 C5D B:GDU806 4.9 14.8 1.0

B.Ramakrishnan, E.Boeggeman, P.K.Qasba. Effect of the MET344HIS Mutation on the Conformational Dynamics of Bovine Beta-1,4-Galactosyltransferase: Crystal Structure of the MET344HIS Mutant in Complex with Chitobiose Biochemistry V. 43 12513 2004.
ISSN: ISSN 0006-2960
PubMed: 15449940
DOI: 10.1021/BI049007+