Chlorine in PDB 4igu: Crystal Structure of the Rgs Domain of CG5036

The structure of Crystal Structure of the Rgs Domain of CG5036, PDB code: 4igu was solved by A.Gabdulkhakov, S.Tishchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.05 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.393, 65.980, 141.701, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.2

The structure of Crystal Structure of the Rgs Domain of CG5036 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Rgs Domain of CG5036 (pdb code 4igu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Rgs Domain of CG5036, PDB code: 4igu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Rgs Domain of CG5036


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 the Rgs Domain of CG5036 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.5 occ:1.00 NE2 A:HIS124 2.9 21.9 1.0 O A:HOH310 3.3 18.0 1.0 N A:PHE26 3.4 17.1 1.0 CE1 A:HIS124 3.8 28.3 1.0 CA A:SER25 3.8 20.7 1.0 CD2 A:HIS124 4.0 25.4 1.0 CB A:PHE26 4.0 19.6 1.0 CB A:SER25 4.0 17.2 1.0 C A:SER25 4.1 16.8 1.0 CE2 A:TYR128 4.3 19.8 1.0 CA A:PHE26 4.3 18.4 1.0 CG2 B:THR108 4.6 20.6 1.0 O A:LYS24 4.9 24.8 1.0 ND1 A:HIS124 4.9 25.8 1.0 CD2 A:TYR128 4.9 19.7 1.0 OH A:TYR128 5.0 22.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Rgs Domain of CG5036


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 the Rgs Domain of CG5036 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:39.8 occ:1.00 NE1 A:TRP55 3.0 12.9 1.0 O B:HOH386 3.1 24.8 1.0 CB A:TYR120 3.8 11.9 1.0 CE1 B:HIS110 3.9 21.4 0.5 CG A:GLN116 3.9 11.4 1.0 CE2 A:TRP55 3.9 13.8 1.0 OD2 B:ASP113 3.9 19.1 1.0 CG A:TYR120 3.9 16.3 1.0 ND1 B:HIS110 3.9 20.2 1.0 CD1 A:TRP55 4.0 14.3 1.0 CD A:GLN116 4.0 17.4 1.0 CD2 A:TYR120 4.0 17.0 1.0 CZ2 A:TRP55 4.2 16.3 1.0 NE2 A:GLN116 4.2 13.6 1.0 O A:HOH371 4.2 27.4 1.0 O A:GLN116 4.3 12.3 1.0 OE1 A:GLN116 4.4 16.9 1.0 CA A:ILE117 4.5 17.1 1.0 C A:GLN116 4.5 14.4 1.0 N A:ILE117 4.6 12.5 1.0 CD1 A:TYR120 4.6 17.3 1.0 CG1 A:ILE117 4.7 21.8 1.0 CE2 A:TYR120 4.8 16.4 1.0 CB A:GLN116 4.9 15.3 1.0 NE2 B:HIS110 4.9 23.3 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Rgs Domain of CG5036


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Rgs Domain of CG5036 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:30.7 occ:1.00 O A:HOH362 2.8 37.4 1.0 ND2 A:ASN101 3.2 16.2 1.0 NH1 A:ARG97 3.7 22.5 1.0 OH A:TYR78 4.2 11.3 1.0 CG A:ASN101 4.2 16.4 1.0 OD1 A:ASN101 4.4 14.5 1.0 CD A:ARG97 4.4 25.6 1.0 CB A:ARG97 4.5 16.6 1.0 OE2 A:GLU98 4.5 44.7 1.0 CZ A:ARG97 4.8 27.5 1.0 CG A:ARG97 4.9 20.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Rgs Domain of CG5036


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Rgs Domain of CG5036 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:26.0 occ:1.00 O B:HOH389 2.8 26.7 1.0 NE1 B:TRP55 3.0 11.5 1.0 O A:HOH319 3.1 19.7 1.0 CE1 A:HIS110 3.7 16.6 0.5 CB B:TYR120 3.8 10.6 1.0 CG B:GLN116 3.8 14.9 1.0 CD2 B:TYR120 3.9 10.6 1.0 CD1 B:TRP55 3.9 10.4 1.0 CG B:TYR120 4.0 9.1 1.0 CD B:GLN116 4.0 14.4 1.0 CE2 B:TRP55 4.0 13.2 1.0 ND1 A:HIS110 4.1 21.2 1.0 NE2 B:GLN116 4.1 13.2 1.0 O B:GLN116 4.2 9.5 1.0 CG2 B:ILE117 4.3 21.6 1.0 OD2 A:ASP113 4.3 18.4 1.0 CZ2 B:TRP55 4.3 13.1 1.0 CA B:ILE117 4.3 11.7 1.0 C B:GLN116 4.4 10.4 1.0 OE1 B:GLN116 4.5 18.1 1.0 N B:ILE117 4.5 11.4 1.0 NE2 A:HIS110 4.7 15.8 1.0 CB B:GLN116 4.7 10.8 1.0 CE2 B:TYR120 4.8 11.7 1.0 CB B:ILE117 4.8 14.8 1.0 CD1 B:TYR120 4.8 10.0 1.0 OE2 B:GLU59 5.0 19.3 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Rgs Domain of CG5036


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Rgs Domain of CG5036 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:30.1 occ:1.00 O B:HOH311 2.7 15.9 1.0 O A:HOH304 2.9 13.1 1.0 N B:ASP27 3.4 7.8 1.0 CB B:ASP27 3.4 9.9 1.0 OG B:SER25 3.7 11.7 1.0 O B:HOH313 3.7 12.9 1.0 CB A:THR108 4.0 12.1 1.0 CA B:ASP27 4.0 7.4 1.0 CG2 A:THR108 4.0 11.4 1.0 N B:PHE26 4.0 12.8 1.0 CE1 B:HIS124 4.2 15.8 1.0 C B:PHE26 4.4 8.7 1.0 O A:HOH315 4.4 16.4 1.0 O A:HOH330 4.4 15.8 1.0 CB B:PHE26 4.5 11.0 1.0 NE2 B:HIS124 4.5 13.9 1.0 CA B:PHE26 4.5 8.3 1.0 O A:HOH329 4.7 26.3 1.0 CG B:ASP27 4.7 12.9 1.0 C B:SER25 4.7 10.8 1.0 CB B:SER25 4.7 14.1 1.0 NA A:NA204 4.8 25.7 1.0 CA B:SER25 4.8 15.5 1.0 CA A:THR108 4.9 11.8 1.0 OG1 A:THR108 4.9 11.4 1.0 OG1 A:THR109 5.0 12.6 1.0 OH B:TYR120 5.0 14.2 1.0

C.Lin, A.Koval, S.Tishchenko, A.Gabdulkhakov, U.Tin, G.P.Solis, V.L.Katanaev. Double Suppression of the G Alpha Protein Activity By Rgs Proteins Mol.Cell V. 53 663 2014.
ISSN: ISSN 1097-2765
PubMed: 24560274
DOI: 10.1016/J.MOLCEL.2014.01.014