Calcium in PDB 7zlu: Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose

The structure of Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose, PDB code: 7zlu was solved by P.Roversi, N.Zitzmann, Y.Bayo, R.Ibba, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.16 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	68.159, 72.316, 72.393, 110.48, 108.33, 108.26
R / Rfree (%)	22.6 / 27

The structure of Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Calcium atom in the Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose (pdb code 7zlu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose, PDB code: 7zlu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1503 b:26.0 occ:1.00 O2B A:U2F1502 2.3 36.8 1.0 OD2 A:ASP1302 2.4 29.6 1.0 OD2 A:ASP1304 2.4 32.8 1.0 OD1 A:ASP1435 2.5 28.1 1.0 OD1 A:ASP1304 2.5 28.0 1.0 F1 A:U2F1502 2.6 38.4 1.0 O A:HOH1636 2.7 32.5 1.0 CG A:ASP1304 2.8 29.4 1.0 CG A:ASP1302 3.4 29.6 1.0 CG A:ASP1435 3.5 28.1 1.0 PB A:U2F1502 3.6 38.2 1.0 C2 A:U2F1502 3.8 37.8 1.0 OD2 A:ASP1435 3.8 30.4 1.0 O1 A:U2F1502 3.9 38.1 1.0 C3 A:U2F1502 4.0 37.0 1.0 O3 A:U2F1502 4.1 36.4 1.0 NZ A:LYS1446 4.1 47.5 1.0 CB A:ASP1302 4.1 26.0 1.0 CB A:ASP1304 4.3 26.5 1.0 OD1 A:ASP1302 4.3 32.8 1.0 C1 A:U2F1502 4.4 38.2 1.0 N A:LEU1436 4.6 28.0 1.0 O3A A:U2F1502 4.6 40.3 1.0 O2A A:U2F1502 4.6 41.7 1.0 O A:LEU1436 4.6 31.3 1.0 C A:LEU1436 4.7 30.4 1.0 O1B A:U2F1502 4.7 37.9 1.0 O1A A:U2F1502 4.7 42.1 1.0 N A:CYS1437 4.8 30.1 1.0 CA A:CYS1437 4.8 30.8 1.0 CB A:ASP1435 4.8 24.9 1.0 PA A:U2F1502 4.9 41.9 1.0 CB A:ALA1360 4.9 23.3 1.0

Calcium binding site 2 out of 3 in the Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1503 b:26.4 occ:1.00 OD1 B:ASP1304 2.4 32.5 1.0 OD2 B:ASP1304 2.4 36.7 1.0 OD2 B:ASP1302 2.5 33.9 1.0 OD1 B:ASP1435 2.5 23.7 1.0 O B:HOH1639 2.6 48.8 1.0 O2B B:U2F1501 2.6 34.1 1.0 CG B:ASP1304 2.7 33.3 1.0 F1 B:U2F1501 2.7 34.3 1.0 CG B:ASP1302 3.3 33.4 1.0 CG B:ASP1435 3.6 25.6 1.0 PB B:U2F1501 3.8 35.1 1.0 C2 B:U2F1501 3.9 34.5 1.0 O1 B:U2F1501 3.9 34.6 1.0 OD2 B:ASP1435 4.0 28.6 1.0 C3 B:U2F1501 4.1 34.4 1.0 CB B:ASP1302 4.1 29.1 1.0 OD1 B:ASP1302 4.1 35.9 1.0 CB B:ASP1304 4.1 29.8 1.0 O3 B:U2F1501 4.1 35.0 1.0 NZ B:LYS1446 4.4 43.6 1.0 C1 B:U2F1501 4.5 34.5 1.0 O B:LEU1436 4.6 30.2 1.0 O1A B:U2F1501 4.6 38.8 1.0 N B:LEU1436 4.6 25.5 1.0 C B:LEU1436 4.7 28.9 1.0 O3A B:U2F1501 4.8 37.1 1.0 N B:CYS1437 4.8 29.0 1.0 O2A B:U2F1501 4.8 38.3 1.0 CA B:CYS1437 4.9 29.7 1.0 CB B:ASP1435 4.9 22.9 1.0 O1B B:U2F1501 4.9 35.0 1.0 PA B:U2F1501 5.0 38.7 1.0

Calcium binding site 3 out of 3 in the Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Catalytic Domain of Udp-Glucose Glycoprotein Glucosyltransferase From Chaetomium Thermophilum in Complex with Udp-2-Deoxy-2-Fluoro-D- Glucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1503 b:28.0 occ:1.00 O2B C:U2F1501 2.3 35.5 1.0 OD1 C:ASP1304 2.3 38.2 1.0 OD2 C:ASP1302 2.5 33.9 1.0 O C:HOH1607 2.5 29.6 1.0 OD1 C:ASP1435 2.6 26.2 1.0 OD2 C:ASP1304 2.6 40.4 1.0 CG C:ASP1304 2.7 37.7 1.0 F1 C:U2F1501 2.8 37.7 1.0 CG C:ASP1302 3.3 32.6 1.0 CG C:ASP1435 3.7 26.5 1.0 PB C:U2F1501 3.7 36.7 1.0 C2 C:U2F1501 4.0 37.4 1.0 CB C:ASP1302 4.0 29.1 1.0 OD2 C:ASP1435 4.0 29.4 1.0 O1 C:U2F1501 4.0 36.9 1.0 OD1 C:ASP1302 4.1 33.6 1.0 C3 C:U2F1501 4.2 37.2 1.0 CB C:ASP1304 4.2 32.8 1.0 NZ C:LYS1446 4.3 41.9 1.0 O C:LEU1436 4.3 30.6 1.0 O3 C:U2F1501 4.3 37.1 1.0 O1A C:U2F1501 4.4 39.2 1.0 C1 C:U2F1501 4.5 37.3 1.0 C C:LEU1436 4.6 29.9 1.0 N C:LEU1436 4.6 25.2 1.0 O3A C:U2F1501 4.7 38.0 1.0 O1B C:U2F1501 4.8 36.5 1.0 PA C:U2F1501 4.9 39.2 1.0 N C:CYS1437 4.9 30.6 1.0 CA C:CYS1437 4.9 32.4 1.0 CB C:ASP1435 5.0 21.3 1.0 O2A C:U2F1501 5.0 39.3 1.0

A.T.Caputo, R.Ibba, J.D.Le Cornu, B.Darlot, M.Hensen, C.B.Lipp, G.Marciano, S.Vasiljevic, P.Roversi, N.Zitzmann. A Quinolin-8-Ol Sub-Millimolar Inhibitor of Uggt, the Er Glycoprotein Quality Control Checkpoint To Be Published.