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Manganese in PDB 3v0n: Crystal Structure of the Fucosylgalactoside Alpha N- Acetylgalactosaminyltransferase (Gta, Cisab Mutant L266G, G268A) in Complex with A Novel Udp-Galnac Derived Inhibitor (3GW and 4GW)

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 (3GW and 4GW)

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 (3GW and 4GW):
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 (3GW and 4GW), PDB code: 3v0n 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) 29.02 / 1.75
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.200, 153.830, 52.400, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 18.4

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 (3GW and 4GW) (pdb code 3v0n). 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 (3GW and 4GW), PDB code: 3v0n:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3v0n

Go back to Manganese Binding Sites List in 3v0n
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 (3GW and 4GW)


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 (3GW and 4GW) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:24.8
occ:1.00
 OD2 A:ASP213 2.1 23.3 1.0
OAN A:4GW402 2.2 21.1 1.0
O A:HOH610 2.2 20.4 1.0
O1 A:4GW402 2.2 28.0 1.0
OD2 A:ASP211 2.4 17.5 1.0
OD1 A:ASP213 2.4 17.6 1.0
CG A:ASP213 2.6 19.6 1.0
PBU A:4GW402 3.3 30.3 1.0
PBT A:4GW402 3.3 21.1 1.0
CG A:ASP211 3.3 15.2 1.0
OBA A:4GW402 3.4 24.1 1.0
O A:HOH720 3.5 39.4 1.0
CB A:ASP211 3.6 11.4 1.0
O3' A:4GW402 3.9 16.4 1.0
CB A:ASP213 4.1 18.3 1.0
OAH A:4GW402 4.2 33.0 1.0
C5' A:4GW402 4.3 18.9 1.0
OAG A:4GW402 4.3 23.4 1.0
O5' A:4GW402 4.3 18.2 1.0
OAO A:4GW402 4.4 31.5 1.0
OD1 A:ASP211 4.4 15.7 1.0
C3' A:4GW402 4.6 17.7 1.0
O A:HOH633 4.8 37.6 1.0
SD A:MET214 4.8 19.3 1.0
O A:ASP213 4.9 17.4 1.0
C4' A:4GW402 4.9 18.8 1.0
N A:ASP213 4.9 15.8 1.0

Manganese binding site 2 out of 2 in 3v0n

Go back to Manganese Binding Sites List in 3v0n
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 (3GW and 4GW)


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 (3GW and 4GW) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:32.5
occ:1.00
 O B:HOH615 2.1 21.1 1.0
OAN B:3GW402 2.1 22.4 0.6
OAN B:4GW403 2.2 21.7 0.4
OD1 B:ASP213 2.3 17.8 1.0
OAH B:3GW402 2.4 31.3 0.6
OAH B:4GW403 2.5 31.2 0.4
OD2 B:ASP213 2.6 31.9 1.0
OD2 B:ASP211 2.6 19.1 1.0
O B:HOH765 2.8 45.1 1.0
CG B:ASP213 2.8 23.8 1.0
O1 B:4GW403 2.9 31.0 0.4
PBU B:3GW402 3.0 30.6 0.6
PBU B:4GW403 3.1 30.2 0.4
O1 B:3GW402 3.1 31.8 0.6
PBT B:3GW402 3.2 22.0 0.6
OBA B:3GW402 3.2 28.1 0.6
PBT B:4GW403 3.4 21.5 0.4
CG B:ASP211 3.5 16.4 1.0
OBA B:4GW403 3.5 27.2 0.4
CB B:ASP211 3.7 14.9 1.0
O3' B:4GW403 3.8 19.0 0.4
O3' B:3GW402 3.8 19.1 0.6
N2 B:3GW402 4.0 23.9 0.6
OAG B:3GW402 4.1 21.3 0.6
C5' B:4GW403 4.3 19.0 0.4
O5' B:3GW402 4.3 18.6 0.6
C5' B:3GW402 4.3 19.1 0.6
C1 B:3GW402 4.3 29.0 0.6
CB B:ASP213 4.3 21.4 1.0
O5' B:4GW403 4.4 18.4 0.4
OAG B:4GW403 4.4 21.5 0.4
OAO B:3GW402 4.4 30.0 0.6
OAO B:4GW403 4.5 30.0 0.4
C3' B:3GW402 4.6 19.6 0.6
OD1 B:ASP211 4.6 15.6 1.0
C3' B:4GW403 4.7 19.5 0.4
C2 B:3GW402 4.7 25.4 0.6
SD B:MET214 4.7 19.9 1.0
O B:ASP213 4.9 17.5 1.0
C4' B:3GW402 4.9 19.7 0.6
C4' B:4GW403 4.9 19.6 0.4
O B:HOH620 5.0 31.6 1.0
N B:ASP213 5.0 17.1 1.0
CBC B:3GW402 5.0 23.6 0.6

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 18:17:25 2024

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