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Manganese in PDB 3v0p: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Gal 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-Gal 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-Gal 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-Gal Derived Inhibitor (4GW) and H-Antigen Acceptor, PDB code: 3v0p 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) 29.11 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.300, 153.520, 52.830, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 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 A Novel Udp-Gal Derived Inhibitor (4GW) and H-Antigen Acceptor (pdb code 3v0p). 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 (4GW) and H-Antigen Acceptor, PDB code: 3v0p:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3v0p

Go back to Manganese Binding Sites List in 3v0p
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 (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-Gal Derived Inhibitor (4GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:13.6
occ:1.00
OAG A:4GW402 2.1 10.8 1.0
OD2 A:ASP211 2.1 12.7 1.0
O1 A:4GW402 2.2 15.8 1.0
O A:HOH728 2.2 11.5 1.0
OD1 A:ASP213 2.3 14.8 1.0
OD2 A:ASP213 2.3 13.7 1.0
CG A:ASP213 2.6 14.9 1.0
CG A:ASP211 3.2 9.6 1.0
PBU A:4GW402 3.4 22.2 1.0
PBT A:4GW402 3.4 12.1 1.0
CB A:ASP211 3.6 8.8 1.0
OBA A:4GW402 3.7 18.7 1.0
O3' A:4GW402 3.8 11.1 1.0
O A:HOH607 3.9 25.2 1.0
OAH A:4GW402 4.0 22.0 1.0
CB A:ASP213 4.1 12.7 1.0
OD1 A:ASP211 4.3 11.3 1.0
CE A:LYS346 4.3 28.5 1.0
C5' A:4GW402 4.3 12.5 1.0
O5' A:4GW402 4.4 14.7 1.0
OAN A:4GW402 4.4 12.2 1.0
OAO A:4GW402 4.6 21.4 1.0
C3' A:4GW402 4.6 10.4 1.0
CD A:LYS346 4.6 29.2 1.0
O A:HOH602 4.7 20.5 1.0
O A:ASP213 4.8 11.8 1.0
N A:ASP213 4.9 11.7 1.0
SD A:MET214 4.9 12.6 1.0
C4' A:4GW402 5.0 12.6 1.0
CA A:ASP211 5.0 7.0 1.0
CA A:ASP213 5.0 11.9 1.0

Manganese binding site 2 out of 2 in 3v0p

Go back to Manganese Binding Sites List in 3v0p
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 (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-Gal Derived Inhibitor (4GW) and H-Antigen Acceptor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:15.3
occ:1.00
OAH B:4GW402 2.2 19.2 1.0
OAN B:4GW402 2.2 14.7 1.0
O B:HOH697 2.2 15.1 1.0
OD2 B:ASP211 2.2 12.2 1.0
OD1 B:ASP213 2.4 12.8 1.0
OD2 B:ASP213 2.4 12.3 1.0
CG B:ASP213 2.7 12.6 1.0
CG B:ASP211 3.2 12.2 1.0
PBU B:4GW402 3.3 22.4 1.0
PBT B:4GW402 3.4 13.4 1.0
CB B:ASP211 3.5 11.3 1.0
OBA B:4GW402 3.6 19.5 1.0
O B:HOH700 3.8 29.7 1.0
O3' B:4GW402 3.8 12.5 1.0
OAO B:4GW402 3.9 29.2 1.0
NZ B:LYS346 4.1 30.1 1.0
CB B:ASP213 4.2 10.6 1.0
OD1 B:ASP211 4.3 9.9 1.0
OAG B:4GW402 4.3 15.5 1.0
C5' B:4GW402 4.4 10.5 1.0
O5' B:4GW402 4.4 10.9 1.0
O1 B:4GW402 4.6 25.2 1.0
C3' B:4GW402 4.6 10.6 1.0
CE B:LYS346 4.7 31.9 1.0
O B:HOH532 4.8 15.6 1.0
SD B:MET214 4.9 15.8 1.0
C4' B:4GW402 4.9 10.9 1.0
N B:ASP213 5.0 10.8 1.0
CA B:ASP211 5.0 12.6 1.0
O B:ASP213 5.0 9.1 1.0
CB B:ALA268 5.0 12.6 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 18:19:25 2024

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