Manganese in PDB 6bsv: Crystal Structure of Xyloglucan Xylosyltransferase Binary Form

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

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

Resolution Low / High (Å)	48.33 / 2.43
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.929, 94.549, 144.716, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 21.6

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

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


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 Binary Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn501 b:37.7 occ:1.00 OD2 A:ASP227 2.0 54.4 1.0 NE2 A:HIS377 2.0 38.7 1.0 OD1 A:ASP229 2.2 33.9 1.0 O2B A:UDP502 2.4 78.7 1.0 O3 A:NO3504 2.7 74.2 1.0 HB3 A:ASP227 2.8 45.6 1.0 CG A:ASP227 2.8 41.0 1.0 CE1 A:HIS377 2.9 37.0 1.0 CG A:ASP229 3.0 42.9 1.0 HE1 A:HIS377 3.0 44.5 1.0 OD2 A:ASP229 3.1 41.0 1.0 N A:NO3504 3.1 86.5 1.0 CD2 A:HIS377 3.1 36.3 1.0 CB A:ASP227 3.2 38.0 1.0 HD2 A:HIS377 3.4 43.7 1.0 HB2 A:ASP227 3.4 45.6 1.0 HG12 A:VAL379 3.5 51.0 1.0 O1 A:NO3504 3.5 0.3 1.0 PB A:UDP502 3.7 0.8 1.0 O2 A:NO3504 3.7 71.4 1.0 OD1 A:ASP227 3.9 41.6 1.0 O3B A:UDP502 4.0 0.3 1.0 H5'2 A:UDP502 4.0 0.6 1.0 ND1 A:HIS377 4.1 34.3 1.0 HO3' A:UDP502 4.1 90.4 1.0 O1B A:UDP502 4.1 0.2 1.0 HA A:VAL379 4.2 48.8 1.0 CG A:HIS377 4.2 32.2 1.0 H A:ASP229 4.2 38.5 1.0 CG1 A:VAL379 4.4 42.4 1.0 CB A:ASP229 4.4 38.8 1.0 HA3 A:GLY270 4.5 36.6 1.0 O3' A:UDP502 4.6 75.2 1.0 HG13 A:VAL379 4.6 51.0 1.0 CA A:ASP227 4.7 33.0 1.0 HB3 A:ASP229 4.7 46.6 1.0 HB2 A:ALA230 4.8 32.4 1.0 HD1 A:HIS377 4.8 41.2 1.0 HA A:ASP227 4.8 39.8 1.0 N A:ASP229 4.9 32.0 1.0 HG11 A:VAL379 4.9 51.0 1.0 C5' A:UDP502 5.0 0.7 1.0 CA A:VAL379 5.0 40.6 1.0 C A:ASP229 5.0 31.2 1.0 O2A A:UDP502 5.0 0.3 1.0 O A:ASP229 5.0 28.7 1.0

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


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 Binary Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn501 b:34.2 occ:1.00 OD2 B:ASP229 2.1 31.7 1.0 OD2 B:ASP227 2.2 35.1 1.0 OD1 B:ASP229 2.2 36.7 1.0 NE2 B:HIS377 2.2 30.1 1.0 O3B B:UDP502 2.2 42.6 1.0 O2 B:NO3504 2.4 40.4 1.0 CG B:ASP229 2.5 32.8 1.0 HB3 B:ASP227 3.0 45.0 1.0 CG B:ASP227 3.0 30.9 1.0 CE1 B:HIS377 3.0 29.1 1.0 HE1 B:HIS377 3.1 35.0 1.0 N B:NO3504 3.3 47.8 1.0 CB B:ASP227 3.3 37.5 1.0 CD2 B:HIS377 3.4 27.9 1.0 HB2 B:ASP227 3.4 45.0 1.0 PB B:UDP502 3.5 53.7 1.0 HD2 B:HIS377 3.6 33.5 1.0 H5'1 B:UDP502 3.7 63.3 1.0 O1B B:UDP502 3.8 52.6 1.0 O1 B:NO3504 3.9 49.2 1.0 O3 B:NO3504 3.9 41.4 1.0 HG22 B:VAL379 3.9 46.8 1.0 CB B:ASP229 4.0 28.1 1.0 O2B B:UDP502 4.0 59.8 1.0 H B:ASP229 4.1 32.8 1.0 OD1 B:ASP227 4.1 32.8 1.0 HA B:VAL379 4.2 45.7 1.0 ND1 B:HIS377 4.2 29.0 1.0 HA3 B:GLY270 4.3 36.2 1.0 HB3 B:ASP229 4.3 33.9 1.0 O3' B:UDP502 4.4 35.3 1.0 CG B:HIS377 4.4 26.9 1.0 HB2 B:ASP229 4.4 33.9 1.0 C5' B:UDP502 4.6 52.7 1.0 O2A B:UDP502 4.8 60.9 1.0 N B:ASP229 4.8 27.3 1.0 CA B:ASP229 4.8 30.1 1.0 O3A B:UDP502 4.8 60.2 1.0 CA B:ASP227 4.8 30.6 1.0 O B:HOH632 4.8 40.3 1.0 CG2 B:VAL379 4.9 39.0 1.0 HA2 B:GLY270 4.9 36.2 1.0 H5'2 B:UDP502 4.9 63.3 1.0 H4' B:UDP502 5.0 59.1 1.0 HD1 B:HIS377 5.0 34.9 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