Manganese in PDB 2vs4: 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: 2vs4 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)	32.50 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.251, 94.630, 94.690, 90.00, 98.90, 90.00
R / Rfree (%)	26.3 / 27.8

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 2vs4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 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: 2vs4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 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:Mn401 b:1.0 occ:1.00 O A:HOH853 2.2 16.8 1.0 O1B A:UDP402 2.3 17.4 1.0 OD1 A:ASP227 2.3 21.0 1.0 OD2 A:ASP225 2.4 13.2 1.0 O1A A:UDP402 2.5 16.7 1.0 OD2 A:ASP227 2.5 17.1 1.0 CG A:ASP227 2.7 20.3 1.0 PB A:UDP402 3.2 15.6 1.0 CG A:ASP225 3.3 19.1 1.0 PA A:UDP402 3.5 12.3 1.0 O3A A:UDP402 3.5 19.9 1.0 O3B A:UDP402 3.6 19.7 1.0 CB A:ASP225 3.7 18.1 1.0 NZ A:LYS359 3.7 19.1 1.0 O A:HOH608 3.8 21.4 1.0 O A:HOH803 4.0 18.6 1.0 O3' A:UDP402 4.0 18.4 1.0 CB A:ASP227 4.2 18.8 1.0 O2B A:UDP402 4.3 17.2 1.0 C5' A:UDP402 4.3 19.5 1.0 O A:HOH670 4.3 18.7 1.0 O A:HOH718 4.4 17.7 1.0 O A:HOH597 4.4 22.4 1.0 OD1 A:ASP225 4.4 14.0 1.0 O5' A:UDP402 4.4 19.0 1.0 O A:HOH717 4.4 16.8 1.0 O2A A:UDP402 4.5 20.0 1.0 C3' A:UDP402 4.7 19.4 1.0 CB A:ALA282 4.8 19.9 1.0 O A:ASP227 4.8 18.0 1.0 C4' A:UDP402 4.9 22.1 1.0

Manganese binding site 2 out of 2 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 B:Mn401 b:1.0 occ:1.00 OD1 B:ASP227 2.2 17.8 1.0 OD2 B:ASP225 2.3 16.3 1.0 O1A B:UDP402 2.3 17.0 1.0 O B:HOH840 2.4 17.0 1.0 OD2 B:ASP227 2.4 16.2 1.0 O1B B:UDP402 2.4 19.7 1.0 CG B:ASP227 2.6 20.8 1.0 CG B:ASP225 3.2 21.6 1.0 PB B:UDP402 3.3 8.8 1.0 PA B:UDP402 3.4 12.8 1.0 O3A B:UDP402 3.5 17.2 1.0 CB B:ASP225 3.6 20.1 1.0 O3B B:UDP402 3.6 18.4 1.0 NZ B:LYS359 3.8 19.7 1.0 O3' B:UDP402 3.8 15.2 1.0 O B:HOH583 3.9 21.3 1.0 CB B:ASP227 4.1 19.3 1.0 C5' B:UDP402 4.2 20.4 1.0 O B:HOH791 4.3 15.8 1.0 OD1 B:ASP225 4.3 15.1 1.0 O B:HOH600 4.3 17.9 1.0 O5' B:UDP402 4.3 19.4 1.0 O2B B:UDP402 4.4 17.2 1.0 O2A B:UDP402 4.4 18.3 1.0 O B:HOH651 4.4 13.8 1.0 O B:HOH591 4.4 20.9 1.0 O B:HOH716 4.5 16.2 1.0 C3' B:UDP402 4.5 20.1 1.0 O B:ASP227 4.7 16.4 1.0 C4' B:UDP402 4.8 20.9 1.0 CB B:ALA282 4.8 18.8 1.0 N B:ASP227 4.9 18.0 1.0 CA B:ASP227 4.9 20.0 1.0 CA B:ASP225 5.0 18.7 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