Bromine in PDB 4bqo: Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.

The structure of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14., PDB code: 4bqo was solved by M.Vivoli, E.Ayres, E.Beaumont, M.N.Isupov, N.J.Harmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44 / 1.56
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.200, 67.900, 71.900, 62.90, 76.20, 69.80
R / Rfree (%)	17.713 / 21.29

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 38;

Binding sites:

The binding sites of Bromine atom in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. (pdb code 4bqo). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 38 binding sites of Bromine where determined in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14., PDB code: 4bqo:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1315 b:34.7 occ:0.35 BR A:BR1327 3.1 30.3 0.3 NE A:ARG194 3.3 20.7 1.0 CB A:PHE251 3.7 28.0 1.0 O A:HOH2227 3.9 36.7 1.0 CB A:ARG194 3.9 16.4 1.0 NH2 A:ARG194 4.0 20.2 1.0 CZ A:ARG194 4.1 17.4 1.0 CG A:PHE251 4.1 23.7 1.0 CD A:ARG194 4.1 17.1 1.0 CD1 A:PHE251 4.3 20.4 1.0 CG A:ARG194 4.7 15.8 1.0 O A:HOH2221 4.7 31.1 1.0 O A:HOH2073 4.8 57.1 1.0 O A:PHE251 4.8 34.6 1.0 CD2 A:PHE251 4.8 20.2 1.0 O A:HOH2225 5.0 29.5 0.5

Bromine binding site 2 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1316 b:32.7 occ:0.48 O A:HOH2208 2.9 29.6 1.0 O A:HOH2207 3.2 44.7 1.0 OG A:SER181 3.4 33.6 0.6 N A:ASP184 3.4 27.2 1.0 N A:THR183 3.4 23.2 1.0 OD2 A:ASP184 3.8 59.4 1.0 CB A:THR183 4.0 30.6 1.0 CG A:ASP184 4.0 44.6 1.0 C A:SER181 4.0 28.3 1.0 O A:SER181 4.0 26.6 1.0 C A:VAL182 4.0 20.2 1.0 CA A:THR183 4.0 25.1 1.0 CB A:SER181 4.1 30.2 0.4 N A:VAL182 4.1 21.9 1.0 CB A:ASP184 4.1 33.6 1.0 CB A:SER181 4.2 32.5 0.6 CA A:VAL182 4.2 20.5 1.0 C A:THR183 4.2 26.1 1.0 CA A:ASP184 4.4 29.4 1.0 OG1 A:THR183 4.4 26.5 1.0 NH1 A:ARG213 4.5 22.6 0.7 O A:HOH2194 4.6 48.5 1.0 CA A:SER181 4.7 24.9 0.4 OD1 A:ASP184 4.7 36.5 1.0 CA A:SER181 4.7 25.9 0.6 NZ A:LYS165 4.7 45.8 1.0 O A:VAL182 4.9 24.0 1.0

Bromine binding site 3 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1317 b:38.8 occ:0.31 NZ B:LYS21 3.1 33.1 0.4 CD2 B:LEU231 3.5 46.0 1.0 O A:ARG282 3.6 41.1 1.0 CD B:LYS21 3.7 24.8 0.6 CA A:ARG282 3.7 31.6 0.5 CA A:ARG282 3.8 27.6 0.5 CG A:ARG282 3.8 37.4 0.5 O B:HOH2268 3.8 20.6 0.5 CB A:ARG282 3.8 37.1 0.5 CB A:ARG282 3.9 27.8 0.5 C A:ARG282 4.1 36.0 1.0 CE B:LYS21 4.2 29.5 0.4 CD B:LYS21 4.2 26.1 0.4 CD A:ARG282 4.2 54.5 0.5 O A:HOH2112 4.2 46.7 1.0 CE B:LYS21 4.2 27.9 0.6 CG A:ARG282 4.3 26.0 0.5 NZ B:LYS21 4.4 40.0 0.6 O B:HOH2269 4.6 21.4 0.5 CG B:LYS21 4.6 24.1 0.6 CD A:ARG282 4.6 34.0 0.5 O A:HOH2311 4.7 39.9 1.0 CG B:LEU231 5.0 36.5 1.0 N A:ARG282 5.0 26.9 1.0

Bromine binding site 4 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1318 b:35.6 occ:0.36 O A:HOH2106 3.1 41.6 1.0 O A:HOH2034 3.3 47.8 1.0 NH1 A:ARG83 3.3 33.1 1.0 CG A:ARG83 3.8 29.3 1.0 CD A:ARG83 3.8 32.2 1.0 CB A:ALA92 3.9 31.7 1.0 CB A:ARG83 4.1 30.7 1.0 O A:HOH2105 4.2 35.3 1.0 O A:ARG83 4.2 31.7 1.0 CZ A:ARG83 4.4 27.9 1.0 C A:ARG83 4.6 35.9 1.0 NE A:ARG83 4.6 28.1 1.0 CA A:ARG83 4.9 30.7 1.0 O A:HOH2037 5.0 40.9 1.0

Bromine binding site 5 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1319 b:35.2 occ:0.40 O A:HOH2140 3.3 37.6 1.0 N A:HIS116 3.5 30.3 1.0 CG A:PRO110 3.6 22.5 0.5 CD A:PRO110 3.7 24.9 0.5 CD A:PRO110 3.7 30.2 0.5 O A:HIS116 3.8 25.0 1.0 CG A:PRO110 3.9 30.2 0.5 CA A:GLY119 3.9 22.4 1.0 CA A:PRO115 4.2 42.4 1.0 CA A:HIS116 4.3 26.2 1.0 C A:PRO115 4.3 29.5 1.0 CB A:HIS116 4.4 24.5 1.0 O A:GLY119 4.4 24.0 1.0 C A:GLY119 4.4 22.5 1.0 CB A:PRO110 4.5 30.3 0.5 C A:HIS116 4.5 22.7 1.0 N A:GLY119 4.6 22.0 1.0 CB A:PRO115 4.7 43.0 1.0 N A:PRO110 4.8 27.8 0.5 N A:PRO110 4.8 22.1 0.5

Bromine binding site 6 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1320 b:38.5 occ:0.40 CA A:ARG140 2.7 25.1 0.3 O A:HOH2160 3.3 30.6 1.0 NH1 A:ARG256 3.4 25.4 1.0 CB A:ARG140 3.6 29.4 0.3 CG A:ARG140 3.6 28.2 0.3 O A:LEU139 3.6 27.4 1.0 C A:LEU139 3.8 24.1 1.0 N A:ARG140 3.9 18.5 0.3 N A:ARG140 3.9 16.3 0.4 CA A:ARG140 3.9 16.1 0.4 CA A:ARG140 3.9 19.2 0.3 NH2 A:ARG256 4.0 21.4 1.0 CZ A:ARG256 4.1 23.6 1.0 CB A:LEU139 4.1 22.7 1.0 CG A:ARG140 4.2 19.1 0.4 CG A:ARG140 4.2 26.1 0.3 O A:HOH2053 4.4 49.5 1.0 CA A:LEU139 4.6 21.8 1.0 CB A:ARG140 4.7 17.1 0.4 CB A:ARG140 4.7 20.8 0.3 CD A:ARG140 5.0 21.8 0.3

Bromine binding site 7 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1321 b:31.6 occ:0.50 O A:HOH2114 2.5 28.9 0.7 NH1 A:ARG167 3.0 35.6 0.4 O A:HOH2193 3.3 44.0 1.0 ND2 A:ASN172 3.3 47.0 1.0 CD A:ARG167 3.4 36.8 0.4 O A:HOH2113 3.6 29.1 0.6 CZ A:ARG167 3.9 28.3 0.4 O1A A:COA1312 4.0 40.2 0.5 CB A:ARG167 4.0 27.9 0.6 CB A:PRO67 4.0 27.9 1.0 CB A:ARG167 4.0 32.1 0.4 CD A:ARG167 4.0 33.4 0.6 NE A:ARG167 4.0 40.9 0.4 CB A:TYR97 4.0 20.2 1.0 CG A:PRO67 4.1 27.8 1.0 CG A:ARG167 4.1 34.1 0.6 CG A:ARG167 4.2 36.6 0.4 CB A:ASN172 4.3 37.7 1.0 CG A:ASN172 4.3 51.5 1.0 O2A A:COA1312 4.5 43.0 0.5 CD A:PRO67 4.6 29.2 1.0 O A:PRO67 4.7 28.4 1.0 P1A A:COA1312 4.7 47.5 0.5 NE A:ARG167 4.7 40.0 0.6 CD1 A:ILE178 4.8 19.9 0.4 O A:ARG167 4.8 32.4 1.0 N A:TYR97 4.8 20.3 1.0 CG A:TYR97 5.0 19.0 1.0

Bromine binding site 8 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1322 b:36.6 occ:0.60 O A:HOH2074 3.3 37.9 1.0 N A:GLU70 3.6 35.7 1.0 N A:GLY174 3.6 37.2 1.0 O A:GLU171 3.7 47.2 1.0 O A:ASN172 3.8 36.4 1.0 CA A:SER69 3.8 30.9 0.4 CA A:SER69 3.8 31.6 0.6 C A:ASN172 3.9 36.4 1.0 CA A:GLY174 4.2 46.6 1.0 C A:SER69 4.2 37.3 1.0 N A:ASP173 4.2 29.0 1.0 CB A:SER69 4.3 31.0 0.4 CB A:SER69 4.4 34.6 0.6 OG A:SER69 4.4 38.9 0.6 CA A:ASN172 4.4 33.0 1.0 CB A:GLU70 4.4 49.3 1.0 CG2 A:VAL80 4.5 44.4 1.0 C A:ASP173 4.5 30.9 1.0 CA A:ASP173 4.5 30.9 1.0 CA A:GLU70 4.6 42.5 1.0 CG1 A:VAL80 4.7 44.0 1.0 C A:GLU171 4.7 41.7 1.0 O A:VAL68 4.8 35.5 1.0 N A:SER69 4.9 32.0 1.0

Bromine binding site 9 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1323 b:19.8 occ:0.50 O A:HOH2266 3.2 40.1 1.0 O A:HOH2223 3.2 24.3 1.0 O A:HOH2094 3.3 35.2 1.0 O A:HOH2224 3.3 15.9 1.0 NE A:ARG194 3.5 20.7 1.0 CZ A:ARG194 3.5 17.4 1.0 CD A:ARG194 3.8 17.1 1.0 NH1 A:ARG194 3.8 17.2 1.0 NH2 A:ARG194 3.9 20.2 1.0 CD A:LYS238 4.0 16.3 1.0 CE1 A:TYR197 4.0 17.9 1.0 CD1 A:TYR197 4.2 15.0 1.0 CB A:LYS238 4.2 15.8 1.0 O A:HOH2072 4.3 49.0 1.0 O A:HOH2264 4.3 26.0 1.0 CG A:LYS238 4.6 15.9 1.0 CE A:LYS238 5.0 17.0 1.0

Bromine binding site 10 out of 38 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein Without Disulfide Bond Between Coa and CYS14. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1324 b:27.3 occ:0.30 O A:HOH2221 2.6 31.1 1.0 O A:HOH2235 3.0 35.4 1.0 N A:ALA205 3.2 17.6 1.0 CB A:ALA205 3.6 19.8 1.0 N A:ALA204 3.7 17.3 1.0 CB A:THR203 3.7 15.9 1.0 OG1 A:THR203 3.7 16.0 1.0 O A:HOH2227 3.8 36.7 1.0 CB A:ALA204 3.8 23.0 1.0 CA A:ALA205 4.0 22.1 1.0 CA A:ALA204 4.1 18.1 1.0 C A:ALA204 4.1 18.1 1.0 C A:THR203 4.4 16.0 1.0 O A:ARG194 4.5 18.9 1.0 OH A:TYR197 4.5 21.2 1.0 CG2 A:THR203 4.6 16.9 1.0 CA A:THR203 4.7 13.7 1.0 O A:HOH2071 4.7 40.3 1.0 NH2 A:ARG208 4.9 29.6 1.0

M.Vivoli, E.Ayres, E.Beaumont, M.N.Isupov, N.J.Harmer. Structural Insights Into Wcbi, A Novel Polysaccharide-Biosynthesis Enzyme. Iucrj V. 1 28 2014.
ISSN: ISSN 2052-2525
PubMed: 25075317
DOI: 10.1107/S205225251302695X