Manganese in PDB 6bsu: Crystal Structure of Xyloglucan Xylosyltransferase I

All present enzymatic activity of Crystal Structure of Xyloglucan Xylosyltransferase I:
2.4.2.39;

The structure of Crystal Structure of Xyloglucan Xylosyltransferase I, PDB code: 6bsu was solved by A.T.Culbertson, J.J.Ehrlich, J.Choe, R.B.Honzatko, O.A.Zabotina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.53 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	94.304, 135.683, 113.226, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 16.7

The binding sites of Manganese atom in the Crystal Structure of Xyloglucan Xylosyltransferase I (pdb code 6bsu). 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 Xyloglucan Xylosyltransferase I, PDB code: 6bsu:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Xyloglucan Xylosyltransferase I


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 Xyloglucan Xylosyltransferase I within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:20.3 occ:1.00 OD2 A:ASP227 2.1 18.4 1.0 NE2 A:HIS377 2.2 17.6 1.0 OD1 A:ASP229 2.2 20.1 1.0 O A:HOH602 2.2 29.3 1.0 O A:HOH819 2.3 26.4 1.0 O A:HOH780 2.3 33.3 1.0 CG A:ASP229 3.0 21.3 1.0 CE1 A:HIS377 3.1 18.4 1.0 OD2 A:ASP229 3.1 25.7 1.0 CG A:ASP227 3.1 17.6 1.0 HE1 A:HIS377 3.2 22.1 1.0 HB3 A:ASP227 3.2 19.6 1.0 CD2 A:HIS377 3.2 17.6 1.0 HB2 A:ASP227 3.4 19.6 1.0 HD2 A:HIS377 3.4 21.1 1.0 CB A:ASP227 3.5 16.4 1.0 HG22 A:VAL379 3.9 24.8 1.0 O A:HOH688 4.0 37.5 1.0 HA3 A:GLY270 4.1 21.3 1.0 O A:HOH890 4.2 48.5 1.0 ND1 A:HIS377 4.2 18.4 1.0 OD1 A:ASP227 4.2 18.1 1.0 H A:ASP229 4.3 21.2 1.0 CG A:HIS377 4.3 17.6 1.0 CB A:ASP229 4.4 19.7 1.0 HA A:VAL379 4.6 21.5 1.0 O A:HOH872 4.7 43.1 1.0 O A:HOH626 4.7 44.4 1.0 CG2 A:VAL379 4.7 20.6 1.0 HB3 A:ASP229 4.7 23.6 1.0 HG23 A:VAL379 4.7 24.8 1.0 HA2 A:GLY270 4.8 21.3 1.0 HB2 A:ALA230 4.9 22.0 1.0 O A:HOH761 4.9 29.4 1.0 CA A:GLY270 4.9 17.8 1.0 C A:ASP229 5.0 17.9 1.0 HD1 A:HIS377 5.0 22.1 1.0 CA A:ASP227 5.0 15.6 1.0 N A:ASP229 5.0 17.7 1.0 CA A:ASP229 5.0 18.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Xyloglucan Xylosyltransferase I


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 Xyloglucan Xylosyltransferase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:20.5 occ:1.00 O B:HOH860 2.1 26.4 1.0 OD2 B:ASP227 2.1 18.7 1.0 NE2 B:HIS377 2.2 17.3 1.0 OD1 B:ASP229 2.2 20.8 1.0 O B:HOH818 2.3 26.3 1.0 OD2 B:ASP229 2.6 23.5 1.0 CG B:ASP229 2.7 20.6 1.0 HB3 B:ASP227 3.1 22.3 1.0 CE1 B:HIS377 3.1 17.7 1.0 CG B:ASP227 3.1 19.5 1.0 HE1 B:HIS377 3.2 21.2 1.0 CD2 B:HIS377 3.2 17.3 1.0 HB2 B:ASP227 3.3 22.3 1.0 CB B:ASP227 3.4 18.6 1.0 HD2 B:HIS377 3.4 20.8 1.0 HG22 B:VAL379 3.9 26.4 1.0 HA3 B:GLY270 4.2 21.4 1.0 HA B:VAL379 4.2 22.4 1.0 ND1 B:HIS377 4.2 17.7 1.0 H B:ASP229 4.2 22.0 1.0 CB B:ASP229 4.2 19.2 1.0 OD1 B:ASP227 4.2 20.1 1.0 O B:HOH841 4.3 30.0 1.0 CG B:HIS377 4.3 17.5 1.0 O B:HOH849 4.5 41.5 1.0 O B:HOH620 4.5 34.5 1.0 HB3 B:ASP229 4.6 23.1 1.0 HB2 B:ASP229 4.7 23.1 1.0 CG2 B:VAL379 4.8 22.0 1.0 HB2 B:ALA230 4.9 21.4 1.0 HG23 B:VAL379 4.9 26.4 1.0 HA2 B:GLY270 4.9 21.4 1.0 CA B:ASP227 4.9 17.2 1.0 N B:ASP229 4.9 18.3 1.0 CA B:ASP229 4.9 18.8 1.0 C B:ASP229 5.0 17.9 1.0

A.T.Culbertson, J.J.Ehrlich, J.Y.Choe, R.B.Honzatko, O.A.Zabotina. Structure of Xyloglucan Xylosyltransferase 1 Reveals Simple Steric Rules That Define Biological Patterns of Xyloglucan Polymers. Proc. Natl. Acad. Sci. V. 115 6064 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29784804
DOI: 10.1073/PNAS.1801105115