Chlorine in PDB 7fco: CHLB4 Halogenase

The structure of CHLB4 Halogenase, PDB code: 7fco was solved by A.U.Saeed, J.Zheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.91 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	187.651, 53.076, 83.821, 90, 90, 90
R / Rfree (%)	23.1 / 28.5

The binding sites of Chlorine atom in the CHLB4 Halogenase (pdb code 7fco). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the CHLB4 Halogenase, PDB code: 7fco:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the CHLB4 Halogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CHLB4 Halogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:40.0 occ:1.00 N A:GLY328 3.0 23.1 1.0 N A:SER327 3.0 25.0 1.0 CA A:PRO323 3.4 36.2 1.0 C10 A:FAD501 3.6 20.0 1.0 N A:SER326 3.7 27.4 1.0 N1 A:FAD501 3.7 21.6 1.0 CA A:SER326 3.7 27.8 1.0 C A:SER326 3.7 26.8 1.0 CA A:GLY328 3.7 22.4 1.0 C A:SER327 3.9 24.1 1.0 N10 A:FAD501 3.9 18.3 1.0 CA A:SER327 3.9 24.5 1.0 CE1 A:PHE320 3.9 24.2 1.0 CB A:PRO323 3.9 37.5 1.0 CZ A:PHE320 4.0 23.6 1.0 C A:PRO323 4.0 35.2 1.0 O A:PRO323 4.1 36.0 1.0 C4X A:FAD501 4.1 19.9 1.0 CZ2 A:TRP371 4.1 39.5 1.0 C2 A:FAD501 4.1 22.7 1.0 C1' A:FAD501 4.2 18.2 1.0 O A:ASP322 4.3 32.7 1.0 N A:PRO323 4.4 37.0 1.0 CB A:SER327 4.5 24.4 1.0 C9A A:FAD501 4.5 18.1 1.0 C4 A:FAD501 4.5 21.4 1.0 N3 A:FAD501 4.6 21.4 1.0 N5 A:FAD501 4.6 18.8 1.0 C A:ASP322 4.7 35.0 1.0 C A:PHE325 4.7 27.9 1.0 O2 A:FAD501 4.7 28.8 1.0 O A:SER326 4.7 28.3 1.0 C5X A:FAD501 4.9 18.4 1.0 CE2 A:TRP371 4.9 38.9 1.0 CH2 A:TRP371 4.9 39.0 1.0 NE1 A:TRP371 4.9 35.8 1.0 OG A:SER327 4.9 23.4 1.0 N A:ILE324 5.0 33.2 1.0

Chlorine binding site 2 out of 2 in the CHLB4 Halogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CHLB4 Halogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:39.1 occ:1.00 N B:GLY328 3.1 24.3 1.0 N B:SER327 3.2 27.1 1.0 CA B:PRO323 3.2 24.8 1.0 C9 B:FAD501 3.5 23.5 1.0 C9A B:FAD501 3.7 24.5 1.0 CB B:PRO323 3.8 24.8 1.0 N B:SER326 3.8 29.4 1.0 CA B:SER326 3.8 29.3 1.0 C8 B:FAD501 3.8 23.3 1.0 CA B:GLY328 3.8 24.7 1.0 C B:SER326 3.9 28.6 1.0 CE1 B:PHE320 3.9 19.9 1.0 CZ B:PHE320 3.9 21.1 1.0 C B:PRO323 3.9 25.5 1.0 O B:PRO323 3.9 25.4 1.0 C B:SER327 4.1 23.8 1.0 CA B:SER327 4.1 26.5 1.0 N10 B:FAD501 4.1 27.9 1.0 C5X B:FAD501 4.1 24.1 1.0 O B:ASP322 4.2 25.4 1.0 CZ2 B:TRP371 4.2 31.1 1.0 N B:PRO323 4.2 24.0 1.0 C7 B:FAD501 4.3 22.3 1.0 OG B:SER327 4.3 29.3 1.0 C6 B:FAD501 4.4 23.2 1.0 C1' B:FAD501 4.5 30.7 1.0 C8M B:FAD501 4.5 21.7 1.0 C B:ASP322 4.5 24.6 1.0 C B:PHE325 4.8 30.0 1.0 CB B:SER327 4.9 26.9 1.0 C10 B:FAD501 4.9 30.1 1.0 N5 B:FAD501 4.9 25.7 1.0 O B:SER326 4.9 32.5 1.0 N B:ILE324 4.9 28.6 1.0

A.U.Saeed, J.Zheng. Crystal Insight of Fad-Dependent Bifunctional Halogenase CHLB4 in the Biosynthesis of Chlorothricin To Be Published.