Xenon 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:

Manganese

(Mn)

2 atoms

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

Xenon 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 Xenon with other atoms in the Xe 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:Xe362 b:44.9 occ:0.45 CD1 A:PHE265 3.4 49.6 1.0 CE1 A:PHE265 3.7 56.8 1.0 CE2 A:PHE282 3.7 46.1 1.0 CD1 A:PHE299 3.9 60.3 1.0 CD2 A:LEU343 4.0 40.1 1.0 CD1 A:ILE301 4.1 32.9 1.0 CE1 A:PHE299 4.2 61.4 1.0 CD2 A:PHE282 4.3 42.3 1.0 CE A:MET353 4.3 19.3 1.0 CG A:PHE299 4.4 53.6 1.0 CZ A:PHE295 4.5 40.2 1.0 CG A:PHE265 4.5 45.6 1.0 CE2 A:PHE295 4.6 37.6 1.0 SD A:MET353 4.6 26.8 1.0 CG2 A:VAL276 4.7 52.0 1.0 CZ3 A:TRP274 4.7 26.5 1.0 CB A:PHE299 4.7 46.5 1.0 CZ A:PHE282 4.8 41.7 1.0 CE3 A:TRP274 4.9 26.2 1.0 CZ A:PHE265 4.9 54.7 1.0 CG1 A:ILE301 4.9 33.4 1.0 CB A:PHE265 5.0 28.6 1.0

Xenon 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 Xenon with other atoms in the Xe 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:Xe363 b:67.4 occ:0.35 O A:ILE28 3.4 27.2 1.0 CG2 A:ILE28 3.9 25.1 0.7 CG A:PRO222 4.0 29.3 1.0 OD2 A:ASP95 4.0 28.4 1.0 N A:GLY30 4.1 25.7 1.0 CG2 A:ILE28 4.1 24.0 0.3 C A:ALA29 4.1 30.8 1.0 CA A:GLY30 4.1 26.4 1.0 O A:ALA29 4.1 26.8 1.0 NZ A:LYS329 4.1 41.0 0.4 CD A:PRO222 4.2 31.4 1.0 CD A:LYS329 4.2 35.8 0.6 CH2 A:TRP358 4.2 32.4 1.0 C A:ILE28 4.2 26.9 1.0 CE A:LYS329 4.3 36.8 0.4 C A:GLY30 4.3 27.1 1.0 CE A:LYS329 4.4 34.3 0.6 CB A:ILE28 4.4 22.1 0.7 CB A:ILE28 4.5 23.4 0.3 CB A:LEU31 4.5 23.4 1.0 CD A:LYS329 4.5 35.6 0.4 N A:LEU31 4.5 24.5 1.0 CZ2 A:TRP358 4.5 33.9 1.0 N A:ALA29 4.8 20.7 1.0 O A:GLY30 4.9 26.4 1.0 CA A:ALA29 4.9 28.1 1.0 CZ3 A:TRP358 4.9 36.4 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