Atomistry » Manganese » PDB 3ebc-3g0a » 3ee5
Atomistry »
  Manganese »
    PDB 3ebc-3g0a »
      3ee5 »

Manganese in PDB 3ee5: Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,3-Gal-Beta- Naphthalenemethanol

Enzymatic activity of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,3-Gal-Beta- Naphthalenemethanol

All present enzymatic activity of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,3-Gal-Beta- Naphthalenemethanol:
2.4.1.38;

Protein crystallography data

The structure of Crystal Structure of Human M340H-BETA1,4-Galactosyltransferase-I (M340H-B4GAL-T1) in Complex with Glcnac-BETA1,3-Gal-Beta- Naphthalenemethanol, PDB code: 3ee5 was solved by B.Ramakrishnan, P.K.Qasba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.33 / 2.20
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 107.127, 195.742, 143.801, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 24

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-BETA1,3-Gal-Beta- Naphthalenemethanol (pdb code 3ee5). 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-BETA1,3-Gal-Beta- Naphthalenemethanol, PDB code: 3ee5:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 3ee5

Go back to Manganese Binding Sites List in 3ee5
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-BETA1,3-Gal-Beta- Naphthalenemethanol


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-BETA1,3-Gal-Beta- Naphthalenemethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn611

b:38.5
occ:1.00
 O1A A:UDH399 2.1 39.0 1.0
O3B A:UDH399 2.1 36.8 1.0
O A:HOH3012 2.2 31.6 1.0
OD2 A:ASP250 2.2 29.7 1.0
NE2 A:HIS343 2.3 42.7 1.0
NE2 A:HIS340 2.3 31.1 1.0
CG A:ASP250 3.0 30.5 1.0
CD2 A:HIS343 3.2 42.5 1.0
CE1 A:HIS340 3.3 33.2 1.0
CD2 A:HIS340 3.3 33.8 1.0
PA A:UDH399 3.3 38.6 1.0
CE1 A:HIS343 3.4 42.2 1.0
OD1 A:ASP250 3.4 27.9 1.0
PB A:UDH399 3.4 38.5 1.0
O3A A:UDH399 3.7 37.5 1.0
O5' A:UDH399 3.9 39.9 1.0
O2B A:UDH399 3.9 39.5 1.0
O3' A:UDH399 4.0 34.3 1.0
CB A:ASP250 4.3 29.2 1.0
NH2 A:ARG187 4.3 33.0 1.0
CG A:HIS343 4.4 43.5 1.0
ND1 A:HIS340 4.4 33.6 1.0
ND1 A:HIS343 4.4 44.3 1.0
O2A A:UDH399 4.5 39.5 1.0
CG A:HIS340 4.5 34.5 1.0
NH1 A:ARG187 4.5 32.2 1.0
NZ A:LYS275 4.5 43.5 1.0
O A:HOH3068 4.6 52.2 1.0
C5B A:UDH399 4.7 30.9 1.0
C3B A:UDH399 4.7 31.1 1.0
O1B A:UDH399 4.8 37.9 1.0
CZ A:ARG187 4.9 32.8 1.0

Manganese binding site 2 out of 3 in 3ee5

Go back to Manganese Binding Sites List in 3ee5
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-BETA1,3-Gal-Beta- Naphthalenemethanol


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-BETA1,3-Gal-Beta- Naphthalenemethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn400

b:30.5
occ:1.00
 O1A B:UDH1399 2.1 29.2 1.0
O3B B:UDH1399 2.2 37.7 1.0
NE2 B:HIS343 2.2 30.5 1.0
NE2 B:HIS340 2.3 32.2 1.0
OD2 B:ASP250 2.3 25.1 1.0
O B:HOH3155 2.4 29.3 1.0
CG B:ASP250 3.1 25.4 1.0
CD2 B:HIS343 3.1 31.9 1.0
CE1 B:HIS343 3.2 32.0 1.0
CE1 B:HIS340 3.2 30.8 1.0
CD2 B:HIS340 3.3 30.1 1.0
PB B:UDH1399 3.4 35.7 1.0
OD1 B:ASP250 3.4 22.3 1.0
PA B:UDH1399 3.4 31.5 1.0
O3A B:UDH1399 3.7 33.7 1.0
O2B B:UDH1399 3.8 36.1 1.0
O3' B:UDH1399 4.0 26.4 1.0
O5' B:UDH1399 4.0 33.9 1.0
NZ B:LYS275 4.1 38.9 1.0
NH2 B:ARG187 4.2 24.7 1.0
NH1 B:ARG187 4.3 25.5 1.0
ND1 B:HIS343 4.3 32.2 1.0
CG B:HIS343 4.3 30.7 1.0
ND1 B:HIS340 4.4 31.8 1.0
CB B:ASP250 4.4 23.7 1.0
CG B:HIS340 4.4 29.9 1.0
O2A B:UDH1399 4.4 33.9 1.0
C3B B:UDH1399 4.8 25.1 1.0
CZ B:ARG187 4.8 28.3 1.0
O1B B:UDH1399 4.8 35.2 1.0
O B:HOH3289 4.9 43.0 1.0
C5B B:UDH1399 4.9 27.4 1.0

Manganese binding site 3 out of 3 in 3ee5

Go back to Manganese Binding Sites List in 3ee5
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-BETA1,3-Gal-Beta- Naphthalenemethanol


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-BETA1,3-Gal-Beta- Naphthalenemethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn400

b:48.3
occ:1.00
 O3B C:UDH2399 2.0 44.2 1.0
O1A C:UDH2399 2.1 53.7 1.0
O C:HOH3275 2.2 38.6 1.0
OD2 C:ASP250 2.2 38.5 1.0
NE2 C:HIS343 2.3 46.2 1.0
NE2 C:HIS340 2.4 53.9 1.0
CG C:ASP250 3.1 36.5 1.0
CE1 C:HIS343 3.2 46.2 1.0
CE1 C:HIS340 3.3 54.0 1.0
CD2 C:HIS343 3.3 47.0 1.0
OD1 C:ASP250 3.3 36.2 1.0
PB C:UDH2399 3.3 45.4 1.0
PA C:UDH2399 3.3 46.4 1.0
CD2 C:HIS340 3.4 53.5 1.0
O3A C:UDH2399 3.6 48.9 1.0
O2B C:UDH2399 3.9 48.3 1.0
O5' C:UDH2399 4.0 49.3 1.0
O3' C:UDH2399 4.1 37.5 1.0
NZ C:LYS275 4.1 56.4 1.0
NH2 C:ARG187 4.3 46.3 1.0
ND1 C:HIS340 4.4 54.3 1.0
ND1 C:HIS343 4.4 46.5 1.0
CB C:ASP250 4.4 35.9 1.0
O2A C:UDH2399 4.4 52.8 1.0
CG C:HIS343 4.4 46.5 1.0
CG C:HIS340 4.5 53.4 1.0
NH1 C:ARG187 4.6 48.8 1.0
O C:HOH3199 4.7 60.0 1.0
O1B C:UDH2399 4.7 45.0 1.0
C3B C:UDH2399 4.9 41.5 1.0
C5B C:UDH2399 4.9 45.0 1.0
CZ C:ARG187 4.9 46.1 1.0

Reference:

J.R.Brown, F.Yang, A.Sinha, B.Ramakrishnan, Y.Tor, P.K.Qasba, J.D.Esko. Deoxygenated Disaccharide Analogs As Specific Inhibitors of {Beta}1-4-Galactosyltransferase 1 and Selectin-Mediated Tumor Metastasis J.Biol.Chem. V. 284 4952 2009.
ISSN: ISSN 0021-9258
PubMed: 19106107
DOI: 10.1074/JBC.M805782200
Page generated: Tue Dec 15 04:09:08 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy