Chlorine in PDB 4uas: Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate

The structure of Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate, PDB code: 4uas was solved by A.Bracher, A.Sharma, A.Starling-Windhof, F.U.Hartl, M.Hayer-Hartl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.805, 70.885, 125.433, 90.00, 90.00, 90.00
R / Rfree (%)	13.5 / 17.3

The structure of Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate (pdb code 4uas). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate, PDB code: 4uas:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:16.2 occ:1.00 O A:HOH555 3.1 14.8 1.0 O A:HOH533 3.1 11.3 0.7 NE2 A:HIS75 3.3 19.9 1.0 O A:HOH572 3.3 15.2 1.0 OG A:SER118 3.3 15.0 0.3 N A:SER118 3.5 11.2 0.3 N A:SER118 3.5 11.4 0.3 N A:SER118 3.5 11.5 0.3 N A:GLY51 3.5 10.8 1.0 OG1 A:THR117 3.7 11.4 1.0 O A:HOH545 3.8 12.6 1.0 ND2 A:ASN121 3.9 10.4 1.0 CA A:THR117 3.9 9.5 1.0 CB A:SER118 4.0 14.3 0.3 CA A:GLY51 4.0 10.6 1.0 CE1 A:HIS75 4.0 27.0 1.0 CB A:SER118 4.1 15.0 0.3 C A:THR117 4.2 11.7 1.0 CB A:SER118 4.3 16.0 0.3 CD2 A:HIS75 4.3 16.9 1.0 CA A:SER118 4.4 12.8 0.3 CA A:SER118 4.4 12.7 0.3 O A:HOH533 4.4 11.2 0.3 CB A:THR117 4.5 9.9 1.0 CA A:SER118 4.5 13.1 0.3 NZ A:LYS78 4.5 10.9 1.0 O A:THR116 4.5 10.8 1.0 C A:GLY50 4.6 10.0 1.0 O A:HOH520 4.7 14.1 1.0 OG A:SER118 4.7 16.0 0.3 O A:HOH521 4.8 12.5 1.0 CA A:GLY50 4.8 10.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Cbby From Rhodobacter Sphaeroides in Complex with Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:17.6 occ:1.00 O B:HOH551 3.1 16.8 1.0 O B:HOH559 3.2 17.8 1.0 O B:HOH565 3.3 16.9 1.0 NE2 B:HIS75 3.3 21.4 1.0 OG B:SER118 3.4 13.3 0.3 N B:SER118 3.5 11.8 0.3 N B:SER118 3.5 11.9 0.3 N B:SER118 3.5 12.1 0.3 N B:GLY51 3.6 12.2 1.0 OG1 B:THR117 3.7 11.4 1.0 ND2 B:ASN121 3.8 10.9 1.0 O B:HOH562 3.8 13.2 1.0 CA B:THR117 3.9 9.9 1.0 CB B:SER118 4.0 14.2 0.3 CA B:GLY51 4.0 12.4 1.0 CB B:SER118 4.1 15.7 0.3 CE1 B:HIS75 4.1 31.6 1.0 C B:THR117 4.2 11.4 1.0 CB B:SER118 4.2 14.7 0.3 CA B:SER118 4.4 14.3 0.3 CD2 B:HIS75 4.4 17.1 1.0 CA B:SER118 4.4 14.7 0.3 CA B:SER118 4.4 14.9 0.3 CB B:THR117 4.4 10.6 1.0 O B:THR116 4.5 11.3 1.0 NZ B:LYS78 4.6 13.2 1.0 OG B:SER118 4.7 14.6 0.3 O B:HOH539 4.7 15.2 1.0 C B:GLY50 4.7 11.1 1.0 O B:HOH532 4.9 15.0 1.0 CA B:GLY50 4.9 11.7 1.0

A.Bracher, A.Sharma, A.Starling-Windhof, F.U.Hartl, M.Hayer-Hartl. Degradation of Potent Rubisco Inhibitor By Selective Sugar Phosphatase Nat.Plants 2015.
DOI: 10.1038/NPLANTS.2014.2