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Manganese in PDB 3ioj: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp

Enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp

All present enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp:
2.4.1.37; 2.4.1.40;

Protein crystallography data

The structure of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp, PDB code: 3ioj was solved by T.Pesnot, R.Jorgensen, M.M.Palcic, G.K.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.13 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.450, 77.536, 153.605, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.3

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp (pdb code 3ioj). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp, PDB code: 3ioj:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3ioj

Go back to Manganese Binding Sites List in 3ioj
Manganese binding site 1 out of 2 in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn406

b:22.8
occ:1.00
 O3B A:UDP475 2.2 23.4 1.0
O1A A:UDP475 2.2 24.5 1.0
OD2 A:ASP211 2.2 22.4 1.0
OD1 A:ASP213 2.2 21.6 1.0
O A:HOH513 2.3 27.0 1.0
OD2 A:ASP213 2.5 28.6 1.0
CG A:ASP213 2.7 26.1 1.0
CG A:ASP211 3.2 18.7 1.0
PB A:UDP475 3.3 27.3 1.0
PA A:UDP475 3.3 24.6 1.0
O3A A:UDP475 3.5 21.1 1.0
CB A:ASP211 3.6 17.9 1.0
O3' A:UDP475 3.8 23.5 1.0
O2B A:UDP475 4.0 28.3 1.0
NZ A:LYS346 4.1 35.7 1.0
CB A:ASP213 4.2 22.9 1.0
C5' A:UDP475 4.3 23.4 1.0
O5' A:UDP475 4.3 19.6 1.0
OD1 A:ASP211 4.3 19.8 1.0
O2A A:UDP475 4.4 27.6 1.0
O1B A:UDP475 4.4 29.6 1.0
C3' A:UDP475 4.5 22.9 1.0
CE A:LYS346 4.8 41.1 1.0
O A:HOH533 4.8 36.8 1.0
O A:HOH369 4.9 22.7 1.0
O A:ASP213 4.9 17.6 1.0
C4' A:UDP475 4.9 24.1 1.0
SD A:MET214 4.9 20.8 1.0
N A:ASP213 5.0 16.0 1.0
CA A:ASP211 5.0 16.5 1.0
CB A:ALA268 5.0 15.6 1.0

Manganese binding site 2 out of 2 in 3ioj

Go back to Manganese Binding Sites List in 3ioj
Manganese binding site 2 out of 2 in the Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with Udp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn406

b:24.9
occ:1.00
 O1A B:UDP475 2.2 25.0 1.0
O3B B:UDP475 2.2 29.5 1.0
OD2 B:ASP211 2.2 17.0 1.0
OD1 B:ASP213 2.3 19.1 1.0
O B:HOH454 2.3 26.3 1.0
OD2 B:ASP213 2.6 24.9 1.0
CG B:ASP213 2.8 21.2 1.0
CG B:ASP211 3.2 17.7 1.0
PB B:UDP475 3.3 30.7 1.0
PA B:UDP475 3.4 26.2 1.0
CB B:ASP211 3.5 14.9 1.0
O3A B:UDP475 3.6 24.7 1.0
O3' B:UDP475 3.8 22.9 1.0
O2B B:UDP475 4.1 31.5 1.0
NZ B:LYS346 4.2 43.4 1.0
C5' B:UDP475 4.3 24.1 1.0
OD1 B:ASP211 4.3 16.6 1.0
CB B:ASP213 4.3 17.6 1.0
O5' B:UDP475 4.4 22.1 1.0
O B:HOH524 4.4 36.3 1.0
O2A B:UDP475 4.4 26.7 1.0
O1B B:UDP475 4.4 31.7 1.0
C3' B:UDP475 4.6 21.5 1.0
O B:HOH383 4.8 28.0 1.0
CE B:LYS346 4.9 44.9 1.0
O B:HOH569 4.9 29.4 1.0
O B:ASP213 4.9 16.4 1.0
SD B:MET214 4.9 17.8 1.0
C4' B:UDP475 4.9 21.4 1.0
CB B:ALA268 4.9 12.8 1.0
CA B:ASP211 5.0 15.8 1.0
N B:ASP213 5.0 16.9 1.0

Reference:

T.Pesnot, R.Jorgensen, M.M.Palcic, G.K.Wagner. Structural and Mechanistic Basis For A New Mode of Glycosyltransferase Inhibition. Nat.Chem.Biol. V. 6 321 2010.
ISSN: ISSN 1552-4450
PubMed: 20364127
DOI: 10.1038/NCHEMBIO.343
Page generated: Sat Oct 5 16:35:40 2024

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