Manganese in PDB 2jlb: Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue

The structure of Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue, PDB code: 2jlb was solved by A.W.Schuettelkopf, A.J.Clarke, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.860, 100.527, 154.521, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.7

The structure of Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue (pdb code 2jlb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue, PDB code: 2jlb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1570 b:27.1 occ:1.00 O A:HOH2079 1.9 2.0 1.0 ND1 A:HIS264 2.0 26.0 1.0 NE2 A:HIS277 2.1 23.7 1.0 NE2 A:HIS281 2.4 22.8 1.0 CE1 A:HIS264 2.8 25.9 1.0 CE1 A:HIS277 2.9 23.5 1.0 CG A:HIS264 3.2 26.0 1.0 CD2 A:HIS277 3.2 25.9 1.0 CD2 A:HIS281 3.3 22.8 1.0 CE1 A:HIS281 3.4 23.1 1.0 CB A:HIS264 3.7 25.6 1.0 ND1 A:HIS277 4.0 23.3 1.0 NE2 A:HIS264 4.0 25.2 1.0 CD2 A:HIS264 4.2 26.0 1.0 CG A:HIS277 4.2 23.7 1.0 CG A:HIS281 4.4 20.9 1.0 ND1 A:HIS281 4.4 22.8 1.0 CA A:HIS264 4.6 25.8 1.0

Manganese binding site 2 out of 2 in the Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Xanthomonas Campestris Putative Ogt (XCC0866), Complex with Udp-Glcnac Phosphonate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1570 b:14.4 occ:1.00 NE2 B:HIS277 2.0 20.3 1.0 ND1 B:HIS264 2.2 18.0 1.0 O B:HOH2070 2.2 21.3 1.0 CL B:CL1571 2.3 25.6 1.0 CE1 B:HIS277 2.9 18.7 1.0 CG B:HIS264 3.1 19.6 1.0 CE1 B:HIS264 3.2 17.8 1.0 CD2 B:HIS277 3.2 21.4 1.0 CB B:HIS264 3.4 20.6 1.0 NE2 B:HIS281 3.6 26.2 1.0 ND1 B:HIS277 4.0 18.6 1.0 CD2 B:HIS281 4.2 25.6 1.0 CG B:HIS277 4.2 20.6 1.0 NE2 B:HIS264 4.3 17.3 1.0 CD2 B:HIS264 4.3 17.1 1.0 CA B:HIS264 4.3 20.7 1.0 CE1 B:HIS281 4.5 26.4 1.0 O B:HOH2001 4.6 35.4 1.0

A.J.Clarke, R.Hurtado-Guerrero, S.Pathak, A.W.Schuttelkopf, V.Borodkin, S.M.Shepherd, A.F.M.Ibrahim, D.M.F.Van Aalten. Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J. V. 27 2780 2008.
ISSN: ISSN 0261-4189
PubMed: 18818698
DOI: 10.1038/EMBOJ.2008.186