Manganese in PDB 3s23: Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative

The structure of Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative, PDB code: 3s23 was solved by B.R.Goblirsch, C.M.Wilmot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.75 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.027, 90.027, 69.513, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 21.7

The structure of Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative also contains other interesting chemical elements:

Xenon

(Xe)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative (pdb code 3s23). 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 Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative, PDB code: 3s23:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative


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 Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:27.9 occ:0.78 OD1 A:ASP76 2.2 30.9 1.0 ND1 A:HIS38 2.3 45.9 1.0 CG A:ASP76 3.0 39.4 1.0 OD2 A:ASP76 3.2 45.6 1.0 CE1 A:HIS38 3.3 51.6 1.0 CG A:HIS38 3.3 44.9 1.0 CB A:HIS38 3.6 42.7 1.0 CA A:HIS38 4.1 39.4 1.0 CB A:ASP76 4.4 35.2 1.0 NE2 A:HIS38 4.4 47.6 1.0 CD2 A:HIS38 4.5 43.6 1.0 N A:HIS38 4.8 37.2 1.0 CA A:ASP76 5.0 33.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative


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 Cerulenin Bound Xanthomonas Campestri Olea (Co- Crystal) Xe Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn364 b:64.8 occ:0.86 CE A:LYS336 3.1 72.2 1.0 CD A:LYS336 3.2 71.9 1.0 CG A:LYS336 3.2 60.2 1.0 O A:TRP358 3.6 41.6 1.0 OXT A:TRP358 4.0 37.0 1.0 NZ A:LYS336 4.1 69.2 1.0 O A:ASP220 4.2 45.6 1.0 C A:TRP358 4.2 40.2 1.0 CB A:LYS336 4.3 56.5 1.0 N A:GLY337 4.7 44.7 1.0 C A:ASP220 4.7 50.4 1.0 CA A:ASP220 4.8 51.9 1.0 CA A:LYS336 4.9 52.5 1.0 O A:ALA221 4.9 36.7 1.0

B.R.Goblirsch, J.A.Frias, L.P.Wackett, C.M.Wilmot. Crystal Structures of Xanthomonas Campestris Olea Reveal Features That Promote Head-to-Head Condensation of Two Long-Chain Fatty Acids. Biochemistry V. 51 4138 2012.
ISSN: ISSN 0006-2960
PubMed: 22524624
DOI: 10.1021/BI300386M