Bromine in PDB 3iti: Structure of Bovine Trypsin with the Mad Triangle B3C

All present enzymatic activity of Structure of Bovine Trypsin with the Mad Triangle B3C:
3.4.21.4;

The structure of Structure of Bovine Trypsin with the Mad Triangle B3C, PDB code: 3iti was solved by T.Beck, C.E.Da Cunha, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.84 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.658, 56.883, 66.808, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 21.3

The structure of Structure of Bovine Trypsin with the Mad Triangle B3C also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Bromine atom in the Structure of Bovine Trypsin with the Mad Triangle B3C (pdb code 3iti). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Structure of Bovine Trypsin with the Mad Triangle B3C, PDB code: 3iti:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Structure of Bovine Trypsin with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Bovine Trypsin with the Mad Triangle B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:13.8 occ:0.88 BR1 A:BRV301 0.0 13.8 0.9 C2 A:BRV301 1.9 14.3 0.9 C1 A:BRV301 2.8 15.1 0.9 C3 A:BRV301 2.9 14.9 0.9 C7 A:BRV301 3.1 16.4 0.9 C10 A:BRV301 3.2 14.7 0.9 O A:CYS109 3.2 13.5 1.0 O A:SER108 3.3 12.4 1.0 O8 A:BRV301 3.5 16.4 0.9 O9 A:BRV301 3.5 17.5 0.9 O A:HOH522 3.5 23.2 1.0 O12 A:BRV301 3.6 14.8 0.9 O A:HOH420 3.6 13.4 1.0 C A:CYS109 3.7 11.5 1.0 O11 A:BRV301 3.7 14.6 0.9 NE2 A:GLN188 3.7 10.2 1.0 CA A:ALA110 3.8 9.4 1.0 C A:SER108 3.9 11.7 1.0 CB A:SER108 3.9 18.7 1.0 N A:ALA110 4.0 11.0 1.0 O A:HOH496 4.0 19.4 1.0 C4 A:BRV301 4.1 15.5 0.9 C6 A:BRV301 4.1 15.4 0.9 O A:HOH414 4.1 13.4 1.0 CA A:SER108 4.5 16.3 1.0 N A:CYS109 4.5 9.8 1.0 CB A:ALA110 4.6 12.2 1.0 CA A:CYS109 4.7 10.5 1.0 C5 A:BRV301 4.7 15.7 0.9 C A:ALA110 4.9 15.1 1.0 CD A:GLN188 5.0 13.8 1.0

Bromine binding site 2 out of 3 in the Structure of Bovine Trypsin with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Bovine Trypsin with the Mad Triangle B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:17.3 occ:0.88 BR2 A:BRV301 0.0 17.3 0.9 C4 A:BRV301 1.9 15.5 0.9 C5 A:BRV301 2.8 15.7 0.9 C3 A:BRV301 2.8 14.9 0.9 N13 A:BRV301 3.0 16.0 0.9 C10 A:BRV301 3.1 14.7 0.9 O11 A:BRV301 3.6 14.6 0.9 O12 A:BRV301 3.6 14.8 0.9 C2 A:BRV301 4.1 14.3 0.9 OG A:SER184 4.1 13.1 1.0 C6 A:BRV301 4.1 15.4 0.9 OG1 A:THR114 4.5 20.5 1.0 O A:HOH414 4.5 13.4 1.0 C1 A:BRV301 4.6 15.1 0.9 CG2 A:THR114 4.9 15.4 1.0

Bromine binding site 3 out of 3 in the Structure of Bovine Trypsin with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Bovine Trypsin with the Mad Triangle B3C within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:15.7 occ:0.73 BR3 A:BRV301 0.0 15.7 0.7 C6 A:BRV301 1.9 15.4 0.9 C1 A:BRV301 2.9 15.1 0.9 C5 A:BRV301 2.9 15.7 0.9 C7 A:BRV301 3.1 16.4 0.9 N13 A:BRV301 3.1 16.0 0.9 O8 A:BRV301 3.5 16.4 0.9 O9 A:BRV301 3.5 17.5 0.9 CB A:SER184 4.1 13.1 1.0 C4 A:BRV301 4.2 15.5 0.9 C2 A:BRV301 4.2 14.3 0.9 O A:SER184 4.5 13.1 1.0 NZ A:LYS186 4.7 28.9 1.0 OG A:SER184 4.7 13.1 1.0 C3 A:BRV301 4.7 14.9 0.9

T.Beck, C.E.Da Cunha, G.M.Sheldrick. How to Get the Magic Triangle and the Mad Triangle Into Your Protein Crystal. Acta Crystallogr.,Sect.F V. 65 1068 2009.
ISSN: ESSN 1744-3091
PubMed: 19851024
DOI: 10.1107/S1744309109036884