Chlorine in PDB 5jab: Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420

The structure of Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420, PDB code: 5jab was solved by F.H.Ahmed, P.D.Carr, C.J.Jackson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.92 / 1.65
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.756, 88.620, 98.625, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21.7

The binding sites of Chlorine atom in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420 (pdb code 5jab). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420, PDB code: 5jab:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:21.4 occ:1.00 NE A:ARG117 3.1 15.4 1.0 NH2 A:ARG117 3.2 18.0 1.0 O A:HOH436 3.3 27.3 1.0 ND2 A:ASN114 3.4 24.4 1.0 O A:HOH408 3.4 35.9 1.0 CA A:THR55 3.6 13.9 1.0 CZ A:ARG117 3.6 16.5 1.0 N A:THR55 3.7 13.0 1.0 C A:THR55 3.8 15.9 1.0 O A:ILE54 3.9 11.8 1.0 C A:ILE54 3.9 11.6 1.0 O A:THR55 4.1 14.4 1.0 CD A:ARG117 4.2 14.2 1.0 CG A:ARG117 4.2 15.6 1.0 N A:THR56 4.3 14.9 1.0 O A:HOH446 4.4 45.9 1.0 CG1 A:ILE54 4.4 12.1 1.0 CG A:ASN114 4.4 24.9 1.0 CB A:ASN114 4.5 25.6 1.0 CB A:ILE54 4.5 12.0 1.0 CD1 A:ILE54 4.6 12.6 1.0 O2 A:6J4201 4.6 15.4 1.0 N3 A:6J4201 4.7 12.9 1.0 OG1 A:THR56 4.7 21.6 1.0 CB A:ARG117 4.8 15.5 1.0 CA A:ILE54 4.8 11.9 1.0 C2 A:6J4201 4.9 13.1 1.0 NH1 A:ARG117 5.0 18.7 1.0 CB A:THR55 5.0 14.7 1.0

Chlorine binding site 2 out of 4 in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:23.9 occ:1.00 O B:HOH352 3.0 33.8 1.0 NE B:ARG117 3.2 9.0 1.0 O B:HOH411 3.2 24.5 1.0 NH2 B:ARG117 3.3 11.6 1.0 CA B:THR55 3.5 11.4 1.0 ND2 B:ASN114 3.6 21.8 1.0 O B:HOH423 3.6 29.2 1.0 C B:THR55 3.7 12.1 1.0 CZ B:ARG117 3.7 9.7 1.0 N B:THR55 3.7 10.9 1.0 O B:ILE54 4.0 9.5 1.0 C B:ILE54 4.0 11.0 1.0 N B:THR56 4.0 13.3 1.0 O B:THR55 4.0 10.0 1.0 CD B:ARG117 4.3 9.7 1.0 CG B:ARG117 4.3 8.8 1.0 OG1 B:THR56 4.4 16.7 1.0 CG1 B:ILE54 4.6 10.2 1.0 O2 B:6J4201 4.6 14.2 1.0 CB B:ILE54 4.7 10.3 1.0 CG B:ASN114 4.7 17.9 1.0 CD1 B:ILE54 4.7 9.8 1.0 CB B:ARG117 4.8 9.6 1.0 N3 B:6J4201 4.8 10.6 1.0 CB B:ASN114 4.8 14.4 1.0 CB B:THR55 4.9 13.7 1.0 C2 B:6J4201 4.9 11.8 1.0 CA B:THR56 4.9 14.1 1.0 CA B:ILE54 5.0 10.3 1.0 NH1 B:ARG117 5.0 10.6 1.0

Chlorine binding site 3 out of 4 in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:18.6 occ:1.00 NE C:ARG117 3.2 12.4 1.0 ND2 C:ASN114 3.3 20.0 1.0 NH2 C:ARG117 3.3 13.9 1.0 O C:HOH356 3.4 34.5 1.0 CA C:THR55 3.6 14.7 1.0 O C:HOH435 3.7 34.7 1.0 CZ C:ARG117 3.7 12.6 1.0 N C:THR55 3.7 14.9 1.0 C C:THR55 3.8 16.9 1.0 O C:HOH428 3.9 27.9 1.0 C C:ILE54 3.9 14.0 1.0 O C:ILE54 3.9 13.9 1.0 O C:THR55 4.1 14.8 1.0 N C:THR56 4.2 17.0 1.0 CG C:ASN114 4.3 18.5 1.0 CD C:ARG117 4.3 13.6 1.0 CG C:ARG117 4.3 14.4 1.0 CB C:ASN114 4.4 20.6 1.0 OG1 C:THR56 4.5 21.2 1.0 CG1 C:ILE54 4.6 13.4 1.0 CB C:ILE54 4.7 14.0 1.0 O2 C:6J4201 4.7 14.8 1.0 N3 C:6J4201 4.7 12.3 1.0 CB C:ARG117 4.8 14.8 1.0 CD1 C:ILE54 4.8 14.6 1.0 CA C:ILE54 4.9 13.0 1.0 C2 C:6J4201 5.0 13.9 1.0 CB C:THR55 5.0 16.3 1.0

Chlorine binding site 4 out of 4 in the Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Biliverdin Reductase RV2074 From Mycobacterium Tuberculosis in Complex with F420 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:21.9 occ:1.00 NE D:ARG117 3.1 14.7 1.0 O D:HOH326 3.1 37.1 1.0 NH2 D:ARG117 3.2 18.0 1.0 ND2 D:ASN114 3.4 23.1 1.0 O D:HOH426 3.5 31.3 1.0 CZ D:ARG117 3.6 17.8 1.0 CA D:THR55 3.7 17.6 1.0 C D:THR55 3.8 19.9 1.0 N D:THR55 3.9 17.2 1.0 N D:THR56 4.1 17.9 1.0 O D:THR55 4.1 20.5 1.0 C D:ILE54 4.1 17.9 1.0 O D:ILE54 4.1 16.7 1.0 CD D:ARG117 4.2 16.4 1.0 CG D:ARG117 4.2 17.2 1.0 OG1 D:THR56 4.5 20.6 1.0 CG D:ASN114 4.5 23.2 1.0 CG1 D:ILE54 4.5 16.7 1.0 NH2 D:ARG112 4.6 37.7 1.0 CB D:ASN114 4.6 22.1 1.0 CD1 D:ILE54 4.7 17.1 1.0 CB D:ILE54 4.7 15.2 1.0 O2 D:6J4201 4.7 16.9 1.0 CB D:ARG117 4.7 17.6 1.0 N3 D:6J4201 4.9 15.8 1.0 NH1 D:ARG117 4.9 17.8 1.0 CA D:THR56 5.0 18.8 1.0

F.H.Ahmed, A.E.Mohamed, P.D.Carr, B.M.Lee, K.Condic-Jurkic, M.L.O'mara, C.J.Jackson. RV2074 Is A Novel F420 H2 -Dependent Biliverdin Reductase in Mycobacterium Tuberculosis. Protein Sci. V. 25 1692 2016.
ISSN: ESSN 1469-896X
PubMed: 27364382
DOI: 10.1002/PRO.2975