Chlorine in PDB 2j46: Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution

The structure of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution, PDB code: 2j46 was solved by D.M.Freymann, U.D.Ramirez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.84 / 1.14
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.473, 54.496, 98.799, 90.00, 97.72, 90.00
R / Rfree (%)	14.9 / 17.2

The structure of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution (pdb code 2j46). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution, PDB code: 2j46:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1299 b:24.7 occ:1.00 H A:ASP219 2.3 18.1 1.0 O A:HOH2137 2.8 31.6 1.0 O A:HOH2252 2.9 24.2 1.0 O A:HOH2248 3.0 17.6 1.0 HA A:LEU218 3.0 16.9 1.0 HB3 A:SER109 3.0 20.5 1.0 HB3 A:ASP219 3.1 19.9 1.0 N A:ASP219 3.2 18.1 1.0 HD13 A:LEU106 3.4 24.0 1.0 HA A:SER109 3.5 20.3 1.0 HB2 A:SER109 3.6 20.5 1.0 HB2 A:LEU106 3.6 17.5 1.0 CB A:SER109 3.7 20.5 1.0 HD22 A:LEU218 3.8 17.8 1.0 CB A:ASP219 3.8 21.0 1.0 CA A:LEU218 3.8 16.6 1.0 HB2 A:ASP219 3.8 19.9 1.0 HG23 A:THR222 3.9 28.7 1.0 HD21 A:LEU218 4.0 17.9 1.0 C A:LEU218 4.0 17.5 1.0 CA A:SER109 4.0 21.1 1.0 CA A:ASP219 4.1 18.4 1.0 HG A:LEU106 4.3 21.9 1.0 CD1 A:LEU106 4.3 25.2 1.0 HB3 A:LEU218 4.3 17.1 1.0 H A:LEU106 4.3 15.7 1.0 CD2 A:LEU218 4.3 18.1 1.0 OG1 A:THR222 4.4 23.9 1.0 O A:VAL217 4.4 16.1 1.0 HG22 A:THR222 4.5 28.8 1.0 HG12 A:VAL229 4.5 20.5 1.0 HG22 A:VAL229 4.5 23.5 1.0 CB A:LEU106 4.5 18.7 1.0 O A:ASP219 4.5 20.9 1.0 CG2 A:THR222 4.6 30.0 1.0 O A:HOH2095 4.6 35.9 1.0 CB A:LEU218 4.6 17.5 1.0 CG A:LEU106 4.6 21.2 1.0 N A:SER109 4.6 22.5 1.0 HD12 A:LEU106 4.7 24.1 1.0 C A:ASP219 4.8 21.2 1.0 H A:SER109 4.8 22.2 1.0 HD11 A:LEU106 4.9 24.0 1.0 O A:HOH2249 4.9 32.6 1.0 HA A:ASP219 4.9 19.5 1.0 N A:LEU218 4.9 16.0 1.0 HA A:ALA226 4.9 21.4 1.0 OG A:SER109 4.9 17.7 1.0 C A:GLY108 5.0 22.7 0.7

Chlorine binding site 2 out of 4 in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1301 b:39.8 occ:1.00 HH22 B:ARG138 2.4 28.0 1.0 H B:LEU192 2.5 25.8 1.0 HH12 B:ARG138 2.9 29.3 1.0 HA B:ARG191 3.1 22.5 1.0 NH2 B:ARG138 3.2 31.4 1.0 N B:LEU192 3.2 26.9 1.0 HB2 B:LEU192 3.3 28.5 1.0 HD2 B:ARG191 3.4 24.5 1.0 HD3 B:ARG191 3.4 24.6 1.0 HB3 B:ARG191 3.4 23.1 1.0 HG B:LEU192 3.5 36.0 1.0 HD11 B:LEU192 3.6 36.9 1.0 NH1 B:ARG138 3.6 30.1 1.0 NE2 B:GLN107 3.6 33.1 0.5 CA B:ARG191 3.8 22.8 1.0 CD B:ARG191 3.8 24.1 1.0 HH21 B:ARG138 3.8 28.6 1.0 CZ B:ARG138 3.9 27.4 1.0 CB B:LEU192 4.0 29.2 1.0 CB B:ARG191 4.0 22.9 1.0 C B:ARG191 4.0 22.8 1.0 CG B:LEU192 4.1 35.0 1.0 CA B:LEU192 4.2 26.7 1.0 CD1 B:LEU192 4.3 36.6 1.0 HH11 B:ARG138 4.4 29.2 1.0 CG B:ARG191 4.5 24.2 1.0 HD13 B:LEU192 4.7 36.9 1.0 HA B:LEU192 4.7 27.7 1.0 H B:GLN193 4.7 30.6 1.0 CD B:GLN107 4.8 29.8 0.5 HB3 B:LEU192 4.8 28.3 1.0 HB2 B:ARG191 4.8 23.2 1.0 HB3 B:GLN107 4.8 25.9 0.5 HB3 B:GLN107 4.9 27.3 0.5 HG2 B:GLN107 4.9 31.0 0.5 O B:GLY190 4.9 22.6 1.0 HB2 B:GLN107 5.0 27.4 0.5

Chlorine binding site 3 out of 4 in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1302 b:25.3 occ:1.00 H A:LEU192 2.5 18.4 1.0 HH22 A:ARG138 2.5 17.4 1.0 HH12 A:ARG138 2.6 19.4 1.0 HA A:ARG191 3.1 16.4 1.0 O A:HOH2130 3.1 46.0 1.0 HG A:LEU192 3.2 25.6 1.0 O A:HOH2043 3.2 34.4 1.0 O A:HOH2227 3.2 32.5 1.0 N A:LEU192 3.3 18.4 1.0 NH2 A:ARG138 3.3 18.8 1.0 NH1 A:ARG138 3.4 20.2 1.0 HB3 A:ARG191 3.5 16.1 1.0 HB2 A:LEU192 3.5 20.1 1.0 HD2 A:ARG191 3.5 16.6 1.0 HD3 A:ARG191 3.5 16.7 1.0 HD11 A:LEU192 3.7 29.4 1.0 NE2 A:GLN107 3.7 40.5 0.7 CZ A:ARG138 3.8 17.7 1.0 CA A:ARG191 3.8 15.7 1.0 CG A:LEU192 3.9 23.6 1.0 CD A:ARG191 4.0 16.7 1.0 HH21 A:ARG138 4.0 17.9 1.0 CB A:LEU192 4.0 21.1 1.0 CB A:ARG191 4.1 16.5 1.0 C A:ARG191 4.1 17.5 1.0 HH11 A:ARG138 4.1 18.9 1.0 CD1 A:LEU192 4.2 31.4 1.0 CA A:LEU192 4.3 18.7 1.0 OE1 A:GLN107 4.3 22.3 0.3 H A:GLN193 4.5 23.3 1.0 HD13 A:LEU192 4.5 29.3 1.0 CG A:ARG191 4.6 16.3 1.0 CD A:GLN107 4.8 20.7 0.3 NE2 A:GLN107 4.8 19.5 0.3 HA A:LEU192 4.9 19.5 1.0 HB3 A:GLN107 4.9 17.8 0.3 HB2 A:ARG191 4.9 16.1 1.0 HB3 A:LEU192 4.9 19.9 1.0 O A:HOH2042 4.9 44.5 1.0 HB2 A:GLN107 5.0 26.7 0.7 O A:GLY190 5.0 16.5 1.0

Chlorine binding site 4 out of 4 in the Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Water Structure of T. Aquaticus Ffh Ng Domain at 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1298 b:37.7 occ:1.00 O B:HOH2218 2.8 22.0 1.0 HG2 B:ARG260 3.3 19.2 1.0 O B:ARG260 3.3 18.1 1.0 HA B:HIS261 3.3 17.3 1.0 HA3 B:GLY264 3.8 17.1 1.0 HE B:ARG260 3.9 22.2 1.0 C B:ARG260 4.0 16.9 1.0 HG3 B:ARG260 4.0 19.1 1.0 CG B:ARG260 4.1 18.6 1.0 CA B:HIS261 4.2 17.1 1.0 N B:HIS261 4.4 16.9 1.0 O B:HIS261 4.5 18.9 1.0 CA B:GLY264 4.7 17.2 1.0 C B:HIS261 4.7 16.6 1.0 NE B:ARG260 4.7 21.8 1.0 H B:GLY264 4.8 16.9 1.0 HA2 B:GLY264 4.9 17.1 1.0 CD B:ARG260 4.9 20.7 1.0 CA B:ARG260 5.0 16.9 1.0

U.D.Ramirez, D.M.Freymann. Analysis of Protein Hydration in Ultra-High Resolution Structures of the Srp Gtpase Ffh Acta Crystallogr.,Sect.D V. 62 1520 2006.
ISSN: ISSN 0907-4449
PubMed: 17139088
DOI: 10.1107/S0907444906040807