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

Protein crystallography data

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

Other elements in 3s23:

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

Xenon Binding Sites:

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 3s23

Go back to Xenon Binding Sites List in 3s23
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 3s23

Go back to Xenon Binding Sites List in 3s23
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

Reference:

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
Page generated: Wed Dec 16 02:40:00 2020

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