Manganese in PDB 2vs5: The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT)

All present enzymatic activity of The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT):
2.4.1.87;

The structure of The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT), PDB code: 2vs5 was solved by P.Tumbale, H.Jamaluddin, N.Thiyagarajan, K.Brew, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.57 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.027, 91.370, 94.630, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 24.2

The binding sites of Manganese atom in the The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) (pdb code 2vs5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT), PDB code: 2vs5:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1366 b:23.8 occ:1.00 O A:HOH2348 2.2 26.1 1.0 OD2 A:ASP225 2.3 14.2 1.0 OD1 A:ASP227 2.3 17.4 1.0 O1A A:GDU1368 2.4 21.1 1.0 OD2 A:ASP227 2.6 17.6 1.0 O2B A:GDU1368 2.6 23.3 1.0 CG A:ASP227 2.8 16.3 1.0 O A:HOH2354 3.0 38.7 1.0 CG A:ASP225 3.2 13.6 1.0 PB A:GDU1368 3.4 23.2 1.0 O3B A:GDU1368 3.5 24.4 1.0 PA A:GDU1368 3.5 23.0 1.0 CB A:ASP225 3.6 13.3 1.0 O3A A:GDU1368 3.8 22.6 1.0 O3D A:GDU1368 3.8 17.6 1.0 O A:HOH2270 4.0 23.9 1.0 O2' A:GDU1368 4.0 24.3 1.0 O A:HOH2353 4.0 34.8 1.0 C5D A:GDU1368 4.2 19.0 1.0 CB A:ASP227 4.3 16.4 1.0 O A:HOH2206 4.3 37.1 1.0 O5D A:GDU1368 4.3 20.9 1.0 OD1 A:ASP225 4.4 14.0 1.0 O A:HOH2207 4.5 20.6 1.0 C3D A:GDU1368 4.6 18.5 1.0 O2A A:GDU1368 4.6 23.2 1.0 C1' A:GDU1368 4.6 24.5 1.0 C2' A:GDU1368 4.7 24.2 1.0 O1B A:GDU1368 4.8 23.7 1.0 O A:ASP227 4.9 15.8 1.0 C4D A:GDU1368 4.9 18.6 1.0 CA A:ASP225 5.0 14.0 1.0 N A:ASP227 5.0 14.2 1.0

Manganese binding site 2 out of 3 in the The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1367 b:30.8 occ:0.60 OD2 A:ASP340 2.3 15.6 1.0 O A:HOH2349 2.6 40.0 1.0 ND1 A:HIS342 2.8 24.1 1.0 CG A:ASP340 3.1 15.2 1.0 OD1 A:ASP340 3.2 14.7 1.0 CG A:HIS342 3.3 21.9 1.0 CE1 A:HIS342 3.5 24.5 1.0 CB A:HIS342 3.6 20.5 1.0 CE3 A:TRP356 3.9 15.1 1.0 CZ3 A:TRP356 4.1 15.5 1.0 CZ2 A:TRP249 4.2 17.9 1.0 CD2 A:HIS342 4.2 23.1 1.0 NE2 A:HIS342 4.3 23.4 1.0 NE1 A:TRP249 4.4 17.3 1.0 O A:HOH2225 4.4 49.3 1.0 CB A:ASP340 4.5 14.4 1.0 O A:THR358 4.6 34.0 1.0 CE2 A:TRP249 4.7 17.9 1.0 CD2 A:TRP356 5.0 15.0 1.0 CA A:HIS342 5.0 18.7 1.0

Manganese binding site 3 out of 3 in the The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Binding of Udp-Galactose By An Active Site Mutant of Alpha-1,3 Galactosyltransferase (ALPHA3GT) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1360 b:18.4 occ:1.00 O1A B:GDU1361 2.2 16.2 1.0 OD2 B:ASP225 2.2 13.3 1.0 OD1 B:ASP227 2.3 17.8 1.0 O B:HOH2364 2.3 21.0 1.0 O2B B:GDU1361 2.4 17.6 1.0 OD2 B:ASP227 2.5 17.4 1.0 CG B:ASP227 2.7 17.0 1.0 PB B:GDU1361 3.2 18.8 1.0 CG B:ASP225 3.3 13.9 1.0 PA B:GDU1361 3.4 17.2 1.0 O3B B:GDU1361 3.4 19.4 1.0 CB B:ASP225 3.6 11.6 1.0 O3A B:GDU1361 3.6 18.0 1.0 O3D B:GDU1361 3.8 15.3 1.0 O2' B:GDU1361 4.0 16.8 1.0 O B:HOH2295 4.0 22.9 1.0 CB B:ASP227 4.2 15.5 1.0 O B:HOH2218 4.3 27.4 1.0 O5D B:GDU1361 4.3 15.6 1.0 C5D B:GDU1361 4.4 14.5 1.0 OD1 B:ASP225 4.4 13.4 1.0 O2A B:GDU1361 4.4 17.2 1.0 O1B B:GDU1361 4.6 18.7 1.0 C1' B:GDU1361 4.6 17.3 1.0 C3D B:GDU1361 4.6 15.1 1.0 O B:HOH2219 4.6 43.4 1.0 O B:HOH2220 4.7 19.5 1.0 O B:ASP227 4.7 13.8 1.0 C2' B:GDU1361 4.8 16.6 1.0 CB B:ALA282 4.9 10.4 1.0 N B:ASP227 4.9 12.7 1.0 C4D B:GDU1361 4.9 14.5 1.0 CA B:ASP227 5.0 13.7 1.0 CA B:ASP225 5.0 12.1 1.0

P.Tumbale, H.Jamaluddin, N.Thiyagarajan, K.Brew, K.R.Acharya. Structural Basis of Udp-Galactose Binding By Alpha- 1,3-Galactosyltransferase (ALPHA3GT): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity. Biochemistry V. 47 8711 2008.
ISSN: ISSN 0006-2960
PubMed: 18651752
DOI: 10.1021/BI800852A