Chlorine in PDB 4bqn: Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.

The structure of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein., PDB code: 4bqn 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)	24.63 / 1.38
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.920, 68.000, 71.490, 63.04, 76.45, 69.95
R / Rfree (%)	11.65 / 15.502

The binding sites of Chlorine atom in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. (pdb code 4bqn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein., PDB code: 4bqn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1314 b:15.2 occ:0.80 NH1 A:ARG213 3.2 14.3 1.0 O A:HOH2421 3.2 20.1 1.0 O A:HOH2415 3.2 27.4 1.0 N A:PHE185 3.3 12.9 1.0 N A:ASP184 3.5 12.6 1.0 CB A:ASP184 3.5 15.6 1.0 CA A:VAL182 3.6 11.9 1.0 C A:VAL182 3.7 12.5 1.0 CA A:ASP184 3.9 14.3 1.0 CB A:PHE185 3.9 12.4 1.0 N A:THR183 4.0 13.4 1.0 O A:VAL182 4.0 12.7 1.0 C A:ASP184 4.0 12.9 1.0 CZ A:ARG213 4.1 13.9 1.0 NH2 A:ARG213 4.1 13.4 1.0 O A:SER181 4.1 17.0 0.7 CA A:PHE185 4.2 11.5 1.0 OD2 A:ASP184 4.2 22.4 1.0 O A:SER181 4.2 13.0 0.3 CG A:ASP184 4.2 20.4 1.0 O A:HOH2416 4.3 20.2 1.0 O A:HOH2162 4.4 28.8 1.0 C A:THR183 4.4 12.6 1.0 N A:VAL182 4.5 12.0 1.0 CB A:VAL182 4.6 11.9 1.0 C A:SER181 4.7 12.8 0.7 C A:SER181 4.7 12.7 0.3 CA A:THR183 4.8 13.1 1.0 CG1 A:VAL182 5.0 15.2 1.0

Chlorine binding site 2 out of 5 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1315 b:44.3 occ:1.00 NE A:ARG308 3.2 15.7 1.0 NH2 A:ARG307 3.3 40.4 0.6 NH2 A:ARG308 3.3 18.4 1.0 NH1 A:ARG307 3.6 37.7 0.6 CZ A:ARG308 3.7 15.5 1.0 CZ A:ARG307 3.9 40.2 0.6 NH2 A:ARG307 4.3 31.8 0.4 CD A:ARG308 4.4 15.9 1.0 CG A:ARG308 4.4 15.7 1.0 O A:HOH2580 4.8 51.2 1.0

Chlorine binding site 3 out of 5 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1316 b:18.6 occ:0.70 O A:HOH2440 2.9 27.6 1.0 O A:HOH2173 3.0 26.1 1.0 OD1 A:ASN258 3.2 36.1 1.0 N A:LEU241 3.3 11.8 1.0 O A:HOH2490 3.4 17.7 1.0 CD1 A:LEU241 3.4 13.0 1.0 NH1 A:ARG194 3.4 12.7 1.0 NH2 A:ARG194 3.7 15.8 1.0 CA A:SER240 3.8 11.5 0.3 CA A:SER240 3.8 11.3 0.7 CB A:ASN258 3.9 16.3 1.0 CG A:ASN258 3.9 24.2 1.0 OG A:SER240 4.0 12.0 0.7 C A:SER240 4.0 12.4 1.0 CZ A:ARG194 4.1 13.1 1.0 CB A:LEU241 4.1 11.3 1.0 O A:MET239 4.2 13.6 1.0 CA A:LEU241 4.3 11.1 1.0 CG A:LEU241 4.4 11.4 1.0 CB A:SER240 4.4 15.0 0.3 CB A:SER240 4.4 12.1 0.7 OG A:SER240 4.6 13.6 0.3 O A:HOH2487 4.8 22.0 1.0 OE1 A:GLU253 4.9 38.8 0.5 N A:SER240 4.9 11.7 1.0 O A:LEU241 4.9 12.3 1.0 C A:MET239 5.0 10.8 1.0

Chlorine binding site 4 out of 5 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1317 b:56.0 occ:0.50 CG A:PRO87 3.6 23.4 1.0 O A:HOH2236 3.9 54.3 1.0 O A:LEU60 4.0 21.3 1.0 CB A:PRO87 4.1 24.1 1.0 OD1 A:ASP61 4.2 32.4 1.0 O A:LYS59 4.4 22.2 1.0 C A:LEU60 4.5 17.8 1.0 C A:LYS59 4.6 19.0 1.0 O A:PRO58 4.6 24.4 1.0 O A:HOH2002 4.6 70.3 1.0 O A:HOH2016 4.7 35.4 1.0 CG A:ASP61 4.8 19.9 1.0 N A:ASP61 4.9 17.7 1.0 O A:HOH2169 4.9 30.4 1.0 CA A:LYS59 4.9 19.7 1.0 O A:PRO88 5.0 28.1 0.6 N A:LEU60 5.0 18.9 1.0 CD A:PRO87 5.0 21.3 1.0

Chlorine binding site 5 out of 5 in the Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Insights Into Wcbi, A Novel Polysaccharide Biosynthesis Enzyme. Native Protein. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1315 b:14.9 occ:0.90 O B:HOH2294 3.0 22.8 1.0 O B:HOH2368 3.1 18.7 1.0 ND2 B:ASN258 3.2 20.1 0.7 O B:HOH2348 3.2 13.8 1.0 N B:LEU241 3.3 9.6 1.0 NH1 B:ARG194 3.4 12.0 1.0 CD1 B:LEU241 3.5 12.7 1.0 NH2 B:ARG194 3.6 13.3 1.0 CA B:SER240 3.7 9.5 0.2 CA B:SER240 3.7 8.9 0.8 CB B:ASN258 3.8 14.7 0.3 CZ B:ARG194 3.9 11.3 1.0 CB B:ASN258 3.9 12.3 0.7 C B:SER240 4.0 9.0 1.0 OG B:SER240 4.0 9.7 0.8 CG B:ASN258 4.1 17.0 0.7 O B:MET239 4.2 12.1 1.0 CB B:LEU241 4.2 10.9 1.0 ND2 B:ASN258 4.3 32.6 0.3 CA B:LEU241 4.3 10.2 1.0 CB B:SER240 4.3 12.2 0.2 CB B:SER240 4.4 11.1 0.8 CG B:LEU241 4.4 11.4 1.0 CG B:ASN258 4.6 27.0 0.3 OG B:SER240 4.7 13.2 0.2 N B:SER240 4.8 9.8 1.0 O B:LEU241 4.9 11.4 1.0 C B:MET239 4.9 9.3 1.0 O B:HOH2344 5.0 17.4 1.0 O B:HOH2366 5.0 31.6 0.7

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