Chlorine in PDB 5uqp: The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1

The structure of The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1, PDB code: 5uqp was solved by K.Tan, H.Li, S.Clancy, G.N.Phillips Jr., A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), Enzyme Discovery For Natural Productbiosynthesis (Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.21 / 2.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.448, 139.448, 80.075, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 20

The structure of The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 (pdb code 5uqp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1, PDB code: 5uqp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:37.4 occ:1.00 N A:GLY76 3.0 20.6 1.0 O3 A:SO4205 3.6 0.3 1.0 OG A:SER75 3.8 39.7 1.0 CA A:GLY76 3.9 17.8 1.0 CA A:SER75 3.9 22.2 1.0 C A:SER75 3.9 23.7 1.0 O4 A:SO4205 4.0 0.9 1.0 CB A:ALA91 4.0 15.9 1.0 CB A:SER75 4.4 25.9 1.0 S A:SO4205 4.4 0.0 1.0 O A:GLY76 4.6 20.4 1.0 C A:GLY76 4.6 22.7 1.0 O A:HOH303 4.8 45.6 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:36.2 occ:1.00 OG B:SER28 2.9 38.6 1.0 O B:HOH324 3.2 43.3 1.0 N A:ALA61 3.3 41.8 1.0 CB B:SER28 3.7 35.4 1.0 CB A:THR60 3.7 28.9 1.0 CA A:THR60 3.8 31.3 1.0 CB B:ALA30 4.0 27.4 1.0 CB A:ALA61 4.0 32.0 1.0 CG2 A:THR60 4.1 30.1 1.0 C A:THR60 4.1 40.0 1.0 CB B:ARG26 4.1 39.9 1.0 NE B:ARG26 4.3 67.2 1.0 CA A:ALA61 4.3 42.2 1.0 CG B:ARG26 4.4 39.6 1.0 CD B:ARG26 4.8 50.1 1.0 O A:ALA61 4.9 45.8 1.0 CA B:SER28 4.9 36.6 1.0 N B:SER28 5.0 42.3 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:44.3 occ:1.00 OG A:SER28 2.9 39.5 1.0 N B:ALA61 3.1 55.1 1.0 O A:HOH345 3.1 47.8 1.0 CB A:SER28 3.5 41.4 1.0 CA B:THR60 3.7 47.2 1.0 NH2 A:ARG26 3.7 82.5 1.0 CB B:ALA61 3.8 50.7 1.0 NE A:ARG26 3.9 70.6 1.0 CB B:THR60 3.9 42.4 1.0 C B:THR60 3.9 53.9 1.0 CB A:ALA30 4.0 37.3 1.0 CA B:ALA61 4.1 62.1 1.0 CZ A:ARG26 4.2 79.2 1.0 CB A:ARG26 4.4 44.1 1.0 CG2 B:THR60 4.5 40.0 1.0 CA A:SER28 4.8 37.9 1.0 CG A:ARG26 4.8 48.1 1.0 N A:SER28 4.8 39.4 1.0 O B:ALA61 4.9 65.6 1.0 CD A:ARG26 5.0 58.1 1.0

K.Tan, H.Li, S.Clancy, G.N.Phillips Jr., A.Joachimiak. The Crystal Structure of Cupin Protein From Rhodococcus Jostii RHA1 To Be Published.