Manganese in PDB 1tw5: BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose

All present enzymatic activity of BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose:
2.4.1.22; 2.4.1.38; 2.4.1.90;

The structure of BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose, PDB code: 1tw5 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)	19.57 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.370, 92.550, 143.410, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.7

The binding sites of Manganese atom in the BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose (pdb code 1tw5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose, PDB code: 1tw5:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:24.8 occ:1.00 O1A A:UDH404 2.0 19.8 1.0 OD1 A:ASP254 2.2 23.4 1.0 O1B A:UDH404 2.2 21.0 1.0 NE2 A:HIS344 2.2 20.1 1.0 O A:HOH912 2.3 22.1 1.0 NE2 A:HIS347 2.4 26.9 1.0 CG A:ASP254 3.1 23.3 1.0 CE1 A:HIS344 3.2 22.4 1.0 CD2 A:HIS344 3.2 21.7 1.0 CD2 A:HIS347 3.3 26.6 1.0 OD2 A:ASP254 3.3 21.9 1.0 PB A:UDH404 3.4 19.6 1.0 CE1 A:HIS347 3.4 27.3 1.0 PA A:UDH404 3.4 22.5 1.0 O3A A:UDH404 3.5 21.5 1.0 O2B A:UDH404 4.0 24.1 1.0 O3' A:UDH404 4.0 19.9 1.0 O2A A:UDH404 4.2 19.5 1.0 O A:HOH1161 4.2 35.6 1.0 NZ A:LYS279 4.2 27.5 1.0 O A:HOH1025 4.3 38.6 1.0 ND1 A:HIS344 4.3 21.2 1.0 CG A:HIS344 4.4 22.7 1.0 CB A:ASP254 4.4 24.1 1.0 CG A:HIS347 4.5 26.1 1.0 ND1 A:HIS347 4.5 26.5 1.0 NH2 A:ARG191 4.5 20.9 1.0 O5' A:UDH404 4.6 22.3 1.0 C3B A:UDH404 4.7 20.1 1.0 O3B A:UDH404 4.7 20.7 1.0 NH1 A:ARG191 4.7 21.0 1.0 C5B A:UDH404 4.7 21.5 1.0 OD2 A:ASP252 4.9 22.3 1.0

Manganese binding site 2 out of 2 in the BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of BETA1,4-Galactosyltransferase Mutant M344H-Gal-T1 in Complex with Chitobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn805 b:23.5 occ:1.00 O1A B:UDH806 2.0 24.8 1.0 OD1 B:ASP254 2.1 23.8 1.0 NE2 B:HIS344 2.2 21.3 1.0 NE2 B:HIS347 2.2 24.9 1.0 O1B B:UDH806 2.3 21.9 1.0 O B:HOH1008 2.4 18.4 1.0 CG B:ASP254 3.0 24.8 1.0 CE1 B:HIS344 3.1 20.2 1.0 CE1 B:HIS347 3.2 27.6 1.0 CD2 B:HIS344 3.2 23.1 1.0 CD2 B:HIS347 3.3 26.6 1.0 PB B:UDH806 3.3 23.4 1.0 PA B:UDH806 3.4 27.2 1.0 OD2 B:ASP254 3.4 25.5 1.0 O3A B:UDH806 3.4 25.6 1.0 O2B B:UDH806 3.9 26.9 1.0 O3' B:UDH806 4.0 27.8 1.0 O B:HOH939 4.1 18.9 1.0 O2A B:UDH806 4.1 28.8 1.0 NZ B:LYS279 4.2 31.4 1.0 ND1 B:HIS344 4.3 22.4 1.0 ND1 B:HIS347 4.3 26.9 1.0 CB B:ASP254 4.3 20.0 1.0 CG B:HIS344 4.3 22.3 1.0 CG B:HIS347 4.4 27.8 1.0 O5' B:UDH806 4.5 27.6 1.0 NH1 B:ARG191 4.5 18.3 1.0 C3B B:UDH806 4.6 25.4 1.0 C5B B:UDH806 4.6 26.1 1.0 O3B B:UDH806 4.6 25.0 1.0 NH2 B:ARG191 4.6 20.7 1.0 OD2 B:ASP252 4.8 25.5 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+