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Manganese in PDB 2aes: Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or

Enzymatic activity of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or

All present enzymatic activity of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or:
2.4.1.90;

Protein crystallography data

The structure of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or, PDB code: 2aes was solved by V.Ramasamy, B.Ramakrishnan, E.Boeggeman, D.M.Ratner, P.H.Seeberger, P.K.Qasba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 107.159, 192.989, 143.428, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or (pdb code 2aes). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or, PDB code: 2aes:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 2aes

Go back to Manganese Binding Sites List in 2aes
Manganese binding site 1 out of 3 in the Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or


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 Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn400

b:34.0
occ:1.00
 O3B A:UDH399 2.1 36.9 1.0
O1A A:UDH399 2.2 33.9 1.0
OD2 A:ASP250 2.2 29.9 1.0
NE2 A:HIS343 2.3 42.0 1.0
NE2 A:HIS340 2.3 31.7 1.0
O A:HOH464 2.3 31.3 1.0
CG A:ASP250 3.1 32.2 1.0
CD2 A:HIS343 3.1 40.6 1.0
CE1 A:HIS340 3.2 31.9 1.0
PB A:UDH399 3.3 36.2 1.0
CE1 A:HIS343 3.3 42.6 1.0
CD2 A:HIS340 3.3 32.2 1.0
PA A:UDH399 3.4 34.6 1.0
OD1 A:ASP250 3.4 29.9 1.0
O3A A:UDH399 3.6 34.4 1.0
O2B A:UDH399 3.8 39.5 1.0
O3' A:UDH399 4.0 30.2 1.0
O2A A:UDH399 4.2 35.3 1.0
NZ A:LYS275 4.3 45.1 1.0
NH2 A:ARG187 4.3 36.2 1.0
CG A:HIS343 4.3 43.9 1.0
ND1 A:HIS343 4.4 42.9 1.0
ND1 A:HIS340 4.4 32.5 1.0
CB A:ASP250 4.4 29.6 1.0
NH1 A:ARG187 4.4 35.1 1.0
CG A:HIS340 4.4 33.1 1.0
O5' A:UDH399 4.5 32.4 1.0
C5B A:UDH399 4.6 31.4 1.0
C3B A:UDH399 4.7 30.2 1.0
O1B A:UDH399 4.7 36.7 1.0
CZ A:ARG187 4.9 35.7 1.0
O A:HOH641 4.9 56.0 1.0

Manganese binding site 2 out of 3 in 2aes

Go back to Manganese Binding Sites List in 2aes
Manganese binding site 2 out of 3 in the Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or


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 Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:26.3
occ:1.00
 O1A B:UDH401 2.2 25.0 1.0
O3B B:UDH401 2.2 27.7 1.0
NE2 B:HIS340 2.2 27.5 1.0
NE2 B:HIS343 2.2 28.4 1.0
OD2 B:ASP250 2.2 24.4 1.0
O B:HOH453 2.3 23.8 1.0
CG B:ASP250 3.1 23.5 1.0
CE1 B:HIS340 3.1 28.3 1.0
CD2 B:HIS343 3.1 28.5 1.0
CD2 B:HIS340 3.2 26.8 1.0
CE1 B:HIS343 3.2 28.8 1.0
OD1 B:ASP250 3.3 21.6 1.0
PB B:UDH401 3.4 28.8 1.0
PA B:UDH401 3.4 26.2 1.0
O3A B:UDH401 3.7 27.1 1.0
O2B B:UDH401 3.9 31.6 1.0
O3' B:UDH401 3.9 25.1 1.0
NZ B:LYS275 4.0 41.9 1.0
O2A B:UDH401 4.2 27.0 1.0
NH2 B:ARG187 4.2 22.3 1.0
ND1 B:HIS340 4.3 28.3 1.0
CG B:HIS343 4.3 29.5 1.0
ND1 B:HIS343 4.3 27.5 1.0
CG B:HIS340 4.3 27.2 1.0
NH1 B:ARG187 4.4 23.6 1.0
CB B:ASP250 4.4 22.2 1.0
O5' B:UDH401 4.5 24.4 1.0
C5B B:UDH401 4.6 23.9 1.0
C3B B:UDH401 4.7 23.3 1.0
O1B B:UDH401 4.8 27.6 1.0
CZ B:ARG187 4.8 25.6 1.0
O B:HOH440 5.0 51.9 1.0

Manganese binding site 3 out of 3 in 2aes

Go back to Manganese Binding Sites List in 2aes
Manganese binding site 3 out of 3 in the Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,2-Man-ALPHA1,3-Man- Beta-or within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn404

b:35.9
occ:1.00
 O3B C:UDH403 2.0 35.2 1.0
OD2 C:ASP250 2.2 32.5 1.0
O1A C:UDH403 2.2 36.7 1.0
O C:HOH560 2.2 35.0 1.0
NE2 C:HIS343 2.3 34.9 1.0
NE2 C:HIS340 2.4 41.5 1.0
CG C:ASP250 3.1 30.3 1.0
CD2 C:HIS343 3.2 34.7 1.0
CE1 C:HIS343 3.2 33.8 1.0
PB C:UDH403 3.3 38.2 1.0
CD2 C:HIS340 3.3 41.2 1.0
CE1 C:HIS340 3.3 43.1 1.0
PA C:UDH403 3.4 37.5 1.0
OD1 C:ASP250 3.4 31.7 1.0
O3A C:UDH403 3.6 38.1 1.0
O2B C:UDH403 3.8 40.4 1.0
O3' C:UDH403 4.0 34.4 1.0
NZ C:LYS275 4.1 52.9 1.0
O2A C:UDH403 4.2 41.0 1.0
NH2 C:ARG187 4.3 41.7 1.0
ND1 C:HIS343 4.4 35.1 1.0
CG C:HIS343 4.4 35.0 1.0
CB C:ASP250 4.4 31.5 1.0
ND1 C:HIS340 4.4 42.4 1.0
O5' C:UDH403 4.5 38.3 1.0
CG C:HIS340 4.5 42.0 1.0
NH1 C:ARG187 4.6 40.9 1.0
C5B C:UDH403 4.6 37.4 1.0
C3B C:UDH403 4.7 36.5 1.0
O1B C:UDH403 4.7 35.7 1.0
CE C:LYS275 4.8 50.5 1.0
CZ C:ARG187 4.9 41.6 1.0

Reference:

V.Ramasamy, B.Ramakrishnan, E.Boeggeman, D.M.Ratner, P.H.Seeberger, P.K.Qasba. Oligosaccharide Preferences of BETA1,4-Galactosyltransferase-I: Crystal Structures of MET340HIS Mutant of Human BETA1,4-Galactosyltransferase-I with A Pentasaccharide and Trisaccharides of the N-Glycan Moiety J.Mol.Biol. V. 353 53 2005.
ISSN: ISSN 0022-2836
PubMed: 16157350
DOI: 10.1016/J.JMB.2005.07.050
Page generated: Sat Oct 5 13:25:25 2024

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