Manganese in PDB 7ck1: Crystal Structure of Arabidopsis CESA3 Catalytic Domain

All present enzymatic activity of Crystal Structure of Arabidopsis CESA3 Catalytic Domain:
2.4.1.12;

The structure of Crystal Structure of Arabidopsis CESA3 Catalytic Domain, PDB code: 7ck1 was solved by Z.Qiao, Y.G.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.08 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.62, 147.03, 92.51, 90, 102.05, 90
R / Rfree (%)	23.7 / 26.4

The binding sites of Manganese atom in the Crystal Structure of Arabidopsis CESA3 Catalytic Domain (pdb code 7ck1). 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 Arabidopsis CESA3 Catalytic Domain, PDB code: 7ck1:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Arabidopsis CESA3 Catalytic Domain


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 Arabidopsis CESA3 Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn801 b:85.9 occ:0.83 NE2 A:HIS519 2.3 64.6 1.0 CE1 A:HIS519 3.3 66.6 1.0 CD2 A:HIS519 3.3 64.6 1.0 OE1 A:GLU746 4.1 63.5 1.0 OD1 A:ASP747 4.3 94.9 1.0 ND1 A:HIS519 4.4 67.9 1.0 CE2 A:TYR759 4.4 65.4 1.0 CG A:HIS519 4.5 67.6 1.0 O A:GLN517 4.5 64.4 1.0 CB A:GLU746 4.7 69.1 1.0 CB A:GLN517 4.8 71.1 1.0 CD2 A:TYR759 4.9 67.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Arabidopsis CESA3 Catalytic Domain


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 Arabidopsis CESA3 Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn801 b:93.3 occ:0.62 NE2 B:HIS519 2.6 82.8 1.0 CD2 B:HIS519 3.5 79.2 1.0 CE1 B:HIS519 3.5 80.8 1.0 OD1 B:ASP747 4.3 96.7 1.0 OE1 B:GLU746 4.4 65.4 1.0 CE2 B:TYR759 4.5 77.0 1.0 O B:GLN517 4.6 76.4 1.0 ND1 B:HIS519 4.6 80.9 1.0 CG B:HIS519 4.7 78.0 1.0 CB B:GLU746 4.8 70.1 1.0 CD2 B:TYR759 5.0 77.8 1.0

Z.Qiao, E.Lampugnani, X.Yan, G.A.Khan, W.G.Saw, P.Hannah, F.Qian, J.Calabria, Y.Miao, G.GrüBer, S.Persson, Y.Gao. Crystal Structure of Arabidopsis CESA3 Catalytic Domain with Udp-Glucose Provides Insight Into the Mechanism of Cellulose Synthesis. Proc.Natl.Acad.Sci.Usa 2021.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2024015118