Bromine in PDB 4z0t: Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis

The structure of Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis, PDB code: 4z0t was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.11 / 1.50
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.210, 80.210, 145.280, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 18.5

The binding sites of Bromine atom in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis (pdb code 4z0t). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis, PDB code: 4z0t:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis


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 A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:45.6 occ:0.55 N A:ILE98 3.3 14.8 1.0 O A:HOH484 3.3 17.8 1.0 O A:HOH512 3.4 37.2 1.0 CG1 A:ILE98 3.7 19.5 1.0 CB A:ILE98 3.8 17.0 1.0 CA A:THR97 4.0 17.1 1.0 C A:THR97 4.1 15.6 1.0 CA A:ILE98 4.1 14.3 1.0 CG2 A:THR97 4.1 22.2 1.0 CD1 A:ILE98 4.2 26.7 1.0 O A:GLY96 4.5 22.6 1.0 O A:ILE98 4.6 15.5 1.0 CB A:THR97 4.6 21.6 1.0 C A:ILE98 4.9 13.9 1.0 OG1 A:THR97 5.0 25.7 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis


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 A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:61.2 occ:0.55 O A:HOH418 3.4 26.8 1.0 N A:ILE19 3.5 26.7 1.0 CB A:ALA193 3.7 35.0 1.0 CE A:MET194 3.9 53.0 1.0 CA A:GLY18 3.9 28.0 1.0 O A:HOH583 3.9 46.5 1.0 CG1 A:ILE19 3.9 28.1 0.7 CG1 A:ILE19 4.0 28.3 0.3 CB A:ILE19 4.2 26.2 0.7 C A:GLY18 4.2 28.1 1.0 CB A:ILE19 4.2 26.9 0.3 O A:HOH417 4.3 48.3 1.0 SD A:MET194 4.4 53.1 1.0 CA A:ILE19 4.4 25.7 0.7 CA A:ILE19 4.4 26.0 0.3 CD1 A:ILE19 4.7 28.2 0.3 CG A:MET194 4.8 47.9 1.0 OD1 A:ASN91 4.8 26.5 1.0 CA A:ALA193 4.9 34.3 1.0 N A:GLY18 5.0 28.2 1.0 O A:ARG17 5.0 26.6 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis


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 A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:24.1 occ:1.00 O A:HOH470 3.4 32.1 1.0 N A:GLY14 3.5 13.2 1.0 O A:HOH556 3.6 26.3 1.0 CB A:ALA92 3.7 29.0 1.0 CA A:GLY14 3.9 15.0 1.0 CA A:ALA38 4.0 16.1 1.0 CB A:ILE65 4.1 32.7 1.0 CD1 A:ILE65 4.2 31.6 1.0 O A:VAL37 4.3 14.1 1.0 CG1 A:ILE65 4.3 31.4 1.0 N A:ARG39 4.5 20.1 1.0 C A:ALA38 4.5 17.4 1.0 CG1 A:VAL37 4.5 16.6 1.0 CA A:ALA92 4.5 26.6 1.0 CG2 A:ILE65 4.6 35.1 1.0 N A:ALA38 4.6 14.9 1.0 C A:THR13 4.6 13.4 1.0 CB A:THR13 4.7 14.2 1.0 C A:VAL37 4.7 13.6 1.0 CA A:THR13 5.0 13.3 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:21.5 occ:0.45 O A:HOH579 3.2 41.0 1.0 O A:HOH436 3.2 18.1 1.0 NH2 A:ARG132 3.6 27.8 1.0 O A:GLU174 3.8 17.1 1.0 NH1 A:ARG132 3.9 29.7 1.0 CE A:MET178 4.2 29.5 1.0 CZ A:ARG132 4.2 27.9 1.0 CB A:GLU174 4.2 13.8 1.0 C A:GLU174 4.4 14.2 1.0 CG2 A:THR175 4.8 15.9 1.0 CA A:GLU174 4.9 12.7 1.0 OE1 A:GLU174 4.9 14.4 1.0 O A:HOH428 4.9 16.9 1.0

D.M.Dranow, J.Abendroth, D.Lorimer, T.E.Edwards. Crystal Structure of A Putative Oxoacyl-(Acyl Carrier Protein) Reductase From Brucella Ovis. To Be Published.