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Manganese in PDB 3v0o: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Galnac Derived Inhibitor (4GW) 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-Galnac Derived Inhibitor (4GW) 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-Galnac Derived Inhibitor (4GW) 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-Galnac Derived Inhibitor (4GW) and H-Antigen Acceptor, PDB code: 3v0o 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) 19.66 / 1.65
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.230, 151.680, 52.180, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 19.4

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-Galnac Derived Inhibitor (4GW) and H-Antigen Acceptor (pdb code 3v0o). 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-Galnac Derived Inhibitor (4GW) and H-Antigen Acceptor, PDB code: 3v0o:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3v0o

Go back to Manganese Binding Sites List in 3v0o
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-Galnac Derived Inhibitor (4GW) 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-Galnac Derived Inhibitor (4GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:16.6
occ:1.00
 OAH A:4GW402 2.1 17.6 1.0
OAG A:4GW402 2.1 17.0 1.0
OD2 A:ASP211 2.1 13.8 1.0
O A:HOH647 2.3 21.2 1.0
OD1 A:ASP213 2.3 15.6 1.0
OD2 A:ASP213 2.3 17.8 1.0
CG A:ASP213 2.6 16.4 1.0
CG A:ASP211 3.2 16.3 1.0
PBU A:4GW402 3.2 19.1 1.0
PBT A:4GW402 3.3 17.3 1.0
OBA A:4GW402 3.5 19.8 1.0
CB A:ASP211 3.7 12.4 1.0
O3' A:4GW402 3.9 13.4 1.0
O1 A:4GW402 3.9 26.3 1.0
O A:HOH649 4.1 27.8 1.0
CB A:ASP213 4.2 15.5 1.0
O A:HOH648 4.2 31.2 1.0
CE A:LYS346 4.3 22.3 1.0
OD1 A:ASP211 4.3 17.5 1.0
C5' A:4GW402 4.3 14.4 1.0
OAN A:4GW402 4.3 17.3 1.0
O5' A:4GW402 4.4 14.3 1.0
OAO A:4GW402 4.5 19.0 1.0
C3' A:4GW402 4.6 13.9 1.0
O A:HOH528 4.6 19.6 1.0
O A:HOH554 4.6 22.4 1.0
CD A:LYS346 4.7 23.6 1.0
O A:ASP213 4.9 13.5 1.0
SD A:MET214 4.9 17.1 1.0
C4' A:4GW402 4.9 15.7 1.0
N A:ASP213 5.0 13.2 1.0

Manganese binding site 2 out of 2 in 3v0o

Go back to Manganese Binding Sites List in 3v0o
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-Galnac Derived Inhibitor (4GW) 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-Galnac Derived Inhibitor (4GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:18.1
occ:1.00
 OD2 B:ASP211 2.1 17.1 1.0
O1 B:4GW402 2.2 22.7 1.0
OAN B:4GW402 2.2 18.4 1.0
OD1 B:ASP213 2.2 18.3 1.0
O B:HOH605 2.3 19.8 1.0
OD2 B:ASP213 2.4 19.7 1.0
CG B:ASP213 2.7 18.0 1.0
CG B:ASP211 3.2 17.1 1.0
PBU B:4GW402 3.2 21.6 1.0
PBT B:4GW402 3.3 19.5 1.0
OBA B:4GW402 3.5 19.9 1.0
CB B:ASP211 3.7 13.8 1.0
OAH B:4GW402 3.8 26.6 1.0
O3' B:4GW402 3.8 15.3 1.0
NZ B:LYS346 4.0 35.3 1.0
O B:HOH620 4.0 26.1 1.0
CB B:ASP213 4.2 17.8 1.0
OD1 B:ASP211 4.3 17.6 1.0
CE B:LYS346 4.3 39.0 1.0
OAG B:4GW402 4.3 18.7 1.0
C5' B:4GW402 4.4 16.4 1.0
O5' B:4GW402 4.4 17.2 1.0
OAO B:4GW402 4.6 24.6 1.0
O B:HOH564 4.6 32.7 1.0
C3' B:4GW402 4.6 15.8 1.0
O B:HOH534 4.7 23.4 1.0
SD B:MET214 4.8 17.1 1.0
O B:ASP213 4.9 14.0 1.0
N B:ASP213 4.9 14.9 1.0
C4' B:4GW402 5.0 18.4 1.0
CB B:ALA268 5.0 12.9 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 18:18:39 2024

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