Bromine in PDB 5n7l: Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form.

The structure of Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form., PDB code: 5n7l was solved by A.Fulara, S.N.Savvides, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.89 / 2.50
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	100.439, 100.439, 98.848, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22

The binding sites of Bromine atom in the Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form. (pdb code 5n7l). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form., PDB code: 5n7l:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:0.9 occ:1.00 N A:VAL324 3.4 66.0 1.0 CA A:SER323 3.9 59.2 1.0 C A:SER323 4.2 65.3 1.0 CB A:VAL324 4.3 64.4 1.0 CA A:VAL324 4.4 67.5 1.0 CB A:SER323 4.4 57.7 1.0 CG2 A:VAL324 4.5 60.6 1.0 O A:VAL322 4.5 76.3 1.0 O A:VAL324 4.6 77.4 1.0 O A:HOH503 4.7 57.4 1.0 C A:VAL324 4.9 66.5 1.0 N A:SER323 5.0 60.8 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:0.8 occ:1.00 N A:ALA361 3.4 65.6 1.0 CD1 A:LEU308 3.6 79.8 1.0 CB A:ALA361 3.9 53.4 1.0 CD2 A:LEU308 3.9 77.8 1.0 CA A:GLY381 4.0 89.1 1.0 CA A:ALA361 4.2 74.8 1.0 CA A:LEU360 4.2 66.3 1.0 N A:GLY381 4.2 82.1 1.0 N A:GLY382 4.3 0.5 1.0 O A:ALA361 4.3 67.4 1.0 C A:LEU360 4.3 74.1 1.0 CG A:LEU308 4.3 83.5 1.0 C A:GLY381 4.5 0.6 1.0 CD2 A:LEU360 4.7 74.9 1.0 CB A:LEU360 4.7 59.4 1.0 C A:ALA361 4.8 71.8 1.0 O A:GLY359 4.9 79.7 1.0 CG2 A:ILE380 5.0 77.1 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Periplasmic Domain of Xcpy, Ti Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:69.7 occ:0.50 N A:PHE345 3.3 52.5 1.0 OD1 A:ASP346 3.8 61.2 1.0 CD1 A:PHE345 3.8 44.1 1.0 CA A:GLY344 3.9 48.2 1.0 N A:ASP346 4.0 45.6 1.0 C A:GLY344 4.0 60.5 1.0 CB A:PHE345 4.1 51.1 1.0 CA A:PHE345 4.1 57.6 1.0 CG A:PHE345 4.5 62.1 1.0 CG A:ASP346 4.5 62.1 1.0 C A:PHE345 4.6 54.1 1.0 CB A:ASP346 4.7 55.7 1.0 CE1 A:PHE345 4.8 54.3 1.0 NH2 A:ARG369 5.0 52.1 1.0 CA A:ASP346 5.0 49.4 1.0

A.Fulara, I.Vandenberghe, R.J.Read, B.Devreese, S.N.Savvides. Structure and Oligomerization of the Periplasmic Domain of Gspl From the Type II Secretion System of Pseudomonas Aeruginosa. Sci Rep V. 8 16760 2018.
ISSN: ESSN 2045-2322
PubMed: 30425318
DOI: 10.1038/S41598-018-34956-W