Bromine in PDB 3fys: Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis

The structure of Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis, PDB code: 3fys was solved by J.Nan, Y.F.Zhou, C.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	11.95 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.100, 84.700, 42.200, 90.00, 94.10, 90.00
R / Rfree (%)	14.8 / 22.5

The binding sites of Bromine atom in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis (pdb code 3fys). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis, PDB code: 3fys:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


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 Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br701 b:23.4 occ:0.65 OG A:SER175 3.4 41.9 1.0 O A:HOH401 3.4 13.4 1.0 N A:SER175 3.4 22.1 1.0 O A:HOH399 3.5 9.5 1.0 CB A:SER175 3.7 33.5 1.0 O A:ARG172 3.7 21.1 1.0 C A:ARG172 3.8 20.9 1.0 O A:GLY171 3.8 15.8 1.0 CA A:ARG172 3.8 19.2 1.0 N A:SER174 3.9 23.8 1.0 CB A:SER174 4.1 26.2 1.0 CA A:SER175 4.2 26.9 1.0 CA A:SER174 4.3 23.1 1.0 O A:GLY91 4.3 14.0 1.0 C A:SER174 4.4 26.1 1.0 N A:LEU173 4.4 19.2 1.0 CG1 A:VAL196 4.5 6.9 1.0 CB A:VAL196 4.6 14.9 1.0 C A:GLY171 4.7 17.0 1.0 C A:LEU173 4.7 19.8 1.0 CB A:ARG172 4.8 14.8 1.0 N A:ARG172 4.8 16.4 1.0 CG A:ARG172 4.9 13.4 1.0 CA A:LEU173 4.9 16.8 1.0 OG A:SER174 5.0 32.7 1.0

Bromine binding site 2 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


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 Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br702 b:24.8 occ:0.48 O A:HOH308 2.8 23.1 1.0 O A:HOH339 3.2 34.6 1.0 O A:HOH386 3.4 15.1 1.0 CB A:MET160 3.6 21.2 1.0 CA A:ARG206 3.9 11.3 1.0 N A:ARG206 4.1 10.7 1.0 O A:VAL161 4.2 23.9 1.0 CG A:MET160 4.2 32.8 1.0 CB A:ARG206 4.2 8.1 1.0 CG2 A:ILE203 4.3 22.6 1.0 CB A:LYS187 4.3 15.4 1.0 C A:THR205 4.5 15.9 1.0 CB A:ALA209 4.5 8.8 1.0 CD A:LYS187 4.6 20.5 1.0 O A:THR205 4.6 17.0 1.0 CE A:LYS187 4.7 30.8 1.0 O A:HOH292 4.7 16.4 1.0 O A:PRO188 4.7 17.7 1.0 SD A:MET160 4.8 39.0 1.0 CA A:MET160 4.8 19.3 1.0 CG A:ARG206 4.8 12.8 1.0 O A:LYS187 4.9 16.6 1.0 N A:VAL161 4.9 18.2 1.0 O A:HOH390 5.0 25.2 1.0

Bromine binding site 3 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


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 Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br703 b:27.0 occ:0.36 O A:ILE109 2.6 26.4 1.0 O A:VAL106 2.8 30.7 1.0 O A:ASP103 2.8 34.4 1.0 OD1 A:ASP103 3.0 25.2 1.0 OD1 A:ASP110 3.6 28.1 1.0 CG A:ASP103 3.6 26.5 1.0 C A:ILE109 3.8 26.6 1.0 C A:ASP103 3.9 23.9 1.0 OD2 A:ASP103 3.9 26.7 1.0 C A:VAL106 4.0 33.7 1.0 CA A:ASP110 4.1 22.0 1.0 O A:HOH394 4.4 33.9 1.0 N A:ASP110 4.4 22.6 1.0 CA A:ASP103 4.5 24.8 1.0 O A:ASP107 4.6 48.8 1.0 CG A:ASP110 4.7 30.1 1.0 CB A:ASP103 4.7 26.9 1.0 N A:VAL111 4.7 25.2 1.0 N A:ILE109 4.8 29.1 1.0 C A:ASP107 4.8 35.0 1.0 CA A:ASP107 4.8 43.4 1.0 N A:ASP107 4.9 42.4 1.0 CA A:ILE109 4.9 24.0 1.0 CA A:VAL106 4.9 33.1 1.0 CB A:VAL106 4.9 34.9 1.0 C A:ASP110 5.0 20.1 1.0 N A:SER104 5.0 23.9 1.0

Bromine binding site 4 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


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 Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br704 b:32.8 occ:0.24 O A:ASN108 2.5 36.5 1.0 O A:GLY77 2.6 38.9 1.0 O A:TYR80 2.7 29.4 1.0 O A:HOH379 2.9 36.3 1.0 O A:HOH287 3.0 30.0 1.0 C A:TYR80 3.6 25.2 1.0 C A:GLY77 3.7 37.2 1.0 C A:ASN108 3.7 30.9 1.0 OD1 A:ASP81 4.0 32.6 1.0 CA A:ASP81 4.1 18.8 1.0 N A:ASP81 4.2 20.9 1.0 CA A:GLY77 4.2 26.9 1.0 CB A:ASN108 4.4 23.1 1.0 CA A:ASN108 4.5 21.6 1.0 N A:TYR80 4.5 24.5 1.0 CA A:TYR80 4.7 19.0 1.0 N A:ILE109 4.7 29.1 1.0 CA A:ILE109 4.8 24.0 1.0 N A:LYS78 4.8 38.6 1.0 CG A:ASP81 4.9 34.7 1.0 C A:ASP81 5.0 23.6 1.0

Bromine binding site 5 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br705 b:25.6 occ:0.29 CB A:ALA138 3.5 50.8 1.0 CB A:ASP143 3.8 33.1 1.0 C A:ASP143 4.1 28.8 1.0 N A:ILE144 4.2 19.8 1.0 CA A:ALA138 4.2 52.9 1.0 O A:ASP143 4.2 30.1 1.0 CG1 A:ILE144 4.3 13.9 1.0 CD2 A:LEU133 4.3 11.4 1.0 OE1 A:GLU147 4.4 54.2 1.0 CD1 A:LEU133 4.5 18.2 1.0 CA A:ILE144 4.5 20.7 1.0 CB A:LEU133 4.6 13.8 1.0 CA A:ASP143 4.6 24.1 1.0 CG A:LEU133 4.7 20.1 1.0 CD A:GLU147 5.0 53.4 1.0 CG A:ASP143 5.0 39.4 1.0

Bromine binding site 6 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br706 b:29.6 occ:0.26 NH2 A:ARG18 2.9 26.6 1.0 CZ A:ARG18 3.9 23.5 1.0 CG1 A:ILE41 3.9 25.4 1.0 CE A:MET25 4.0 15.6 1.0 O A:GLU40 4.0 35.6 1.0 NH1 A:ARG18 4.0 20.3 1.0 CB A:LYS15 4.0 27.9 1.0 C A:GLU40 4.1 24.4 1.0 N A:ILE41 4.1 18.1 1.0 CA A:ILE41 4.2 25.3 1.0 CD A:LYS15 4.2 33.5 1.0 CB A:GLU40 4.4 6.9 1.0 CE A:LYS15 4.4 33.8 1.0 O A:HOH334 4.6 21.1 1.0 CB A:ILE41 4.6 29.1 1.0 CG A:LYS15 4.8 33.0 1.0 NZ A:LYS15 4.8 39.4 1.0 CA A:GLU40 4.8 20.2 1.0

Bromine binding site 7 out of 7 in the Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Degv, A Fatty Acid Binding Protein From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Br707 b:27.9 occ:0.29 N A:LEU164 3.0 18.2 1.0 CB A:LEU164 3.3 15.9 1.0 OD1 A:ASP163 3.4 33.2 1.0 CA A:LEU164 3.8 16.8 1.0 CA A:ASP163 3.8 17.8 1.0 C A:ASP163 3.9 16.6 1.0 CG A:LYS187 4.0 19.4 1.0 O A:HOH371 4.1 29.9 1.0 CD A:LYS187 4.1 20.5 1.0 CG A:ASP163 4.3 30.4 1.0 O A:ASP162 4.3 17.0 1.0 CD2 A:LEU164 4.4 13.9 1.0 O A:HOH378 4.5 31.6 1.0 CG A:LEU164 4.5 14.1 1.0 CE A:LYS187 4.5 30.8 1.0 CB A:ASP163 4.7 17.5 1.0 O A:LYS185 4.7 30.9 1.0 N A:ALA165 4.7 8.7 1.0 C A:LEU164 4.7 16.2 1.0 N A:ASP163 4.8 22.8 1.0 NZ A:LYS187 5.0 35.2 1.0 C A:ASP162 5.0 17.9 1.0

J.Nan, Y.F.Zhou, C.Yang, E.Brostromer, O.Kristensen, X.-D.Su. Structure of A Fatty Acid-Binding Protein From Bacillus Subtilis Determined By Sulfur-Sad Phasing Using in-House Chromium Radiation Acta Crystallogr.,Sect.D V. 65 440 2009.
ISSN: ISSN 0907-4449
PubMed: 19390149
DOI: 10.1107/S0907444909007756