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Manganese in PDB 3v0m: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor

Enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor

All present enzymatic activity of Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor:
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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor, PDB code: 3v0m was solved by M.M.Palcic, R.Jorgensen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.05 / 1.68
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.170, 153.250, 52.720, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.2

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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor (pdb code 3v0m). 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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor, PDB code: 3v0m:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3v0m

Go back to Manganese Binding Sites List in 3v0m
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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor


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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1

b:17.1
occ:1.00
 OAI A:5GW450 2.1 17.3 1.0
O A:HOH379 2.2 18.7 1.0
OD2 A:ASP211 2.2 16.1 1.0
OAG A:5GW450 2.2 20.2 1.0
OD1 A:ASP213 2.2 14.9 1.0
OD2 A:ASP213 2.4 19.0 1.0
CG A:ASP213 2.6 17.5 1.0
CG A:ASP211 3.2 15.8 1.0
PBD A:5GW450 3.3 23.2 1.0
PBE A:5GW450 3.4 17.2 1.0
OAT A:5GW450 3.5 15.8 1.0
CB A:ASP211 3.6 12.9 1.0
O3' A:5GW450 3.9 15.7 1.0
OAH A:5GW450 4.0 29.4 1.0
O A:HOH592 4.1 37.3 0.7
NZ A:LYS346 4.1 27.7 1.0
CB A:ASP213 4.2 17.1 1.0
C5' A:5GW450 4.3 14.8 1.0
OD1 A:ASP211 4.3 14.7 1.0
O5' A:5GW450 4.4 14.7 1.0
OAD A:5GW450 4.4 20.2 1.0
OAC A:5GW450 4.6 25.2 1.0
C3' A:5GW450 4.6 14.8 1.0
O A:HOH408 4.7 41.6 1.0
O A:HOH441 4.7 28.9 1.0
O A:ASP213 4.8 16.9 1.0
CE A:LYS346 4.9 30.9 1.0
SD A:MET214 4.9 15.8 1.0
C4' A:5GW450 4.9 16.0 1.0
N A:ASP213 4.9 14.1 1.0
CA A:ASP211 5.0 11.5 1.0
CA A:ASP213 5.0 16.2 1.0

Manganese binding site 2 out of 2 in 3v0m

Go back to Manganese Binding Sites List in 3v0m
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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor


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 A Novel Udp-Gal Derived Inhibitor (5GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn1

b:16.8
occ:1.00
 O B:HOH462 2.1 17.8 1.0
OAG B:5GW450 2.1 22.6 1.0
OD2 B:ASP211 2.2 16.6 1.0
OAI B:5GW450 2.2 17.5 1.0
OD1 B:ASP213 2.3 15.9 1.0
OD2 B:ASP213 2.4 17.8 1.0
CG B:ASP213 2.7 15.6 1.0
CG B:ASP211 3.2 15.8 1.0
PBD B:5GW450 3.3 25.0 1.0
PBE B:5GW450 3.4 18.3 1.0
OAT B:5GW450 3.5 18.4 1.0
CB B:ASP211 3.6 14.2 1.0
O3' B:5GW450 3.8 15.8 1.0
O B:HOH585 3.8 20.1 0.5
NZ B:LYS346 4.1 29.7 1.0
OAH B:5GW450 4.1 31.5 1.0
CB B:ASP213 4.2 14.9 1.0
OD1 B:ASP211 4.3 16.2 1.0
C5' B:5GW450 4.3 12.7 1.0
O5' B:5GW450 4.4 13.8 1.0
O B:HOH507 4.4 39.8 1.0
OAD B:5GW450 4.4 19.9 1.0
OAC B:5GW450 4.5 31.7 1.0
C3' B:5GW450 4.6 15.4 1.0
CE B:LYS346 4.8 34.0 1.0
C4' B:5GW450 4.8 16.2 1.0
SD B:MET214 4.8 16.0 1.0
O B:HOH432 4.9 23.6 1.0
O B:ASP213 4.9 14.0 1.0
N B:ASP213 4.9 14.0 1.0
CA B:ASP211 5.0 12.4 1.0

Reference:

R.Jrgensen, T.Pesnot, H.J.Lee, M.M.Palcic, G.K.Wagner. Base-Modified Donor Analogues Reveal Novel Dynamic Features of A Glycosyltransferase. J.Biol.Chem. V. 288 26201 2013.
ISSN: ISSN 0021-9258
PubMed: 23836908
DOI: 10.1074/JBC.M113.465963
Page generated: Sat Oct 5 18:16:08 2024

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