Chlorine in PDB 6qja: Crystal Structure of the Numa N-Terminal Hook Domain

The structure of Crystal Structure of the Numa N-Terminal Hook Domain, PDB code: 6qja was solved by M.Carminati, M.Mapelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.90 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.730, 112.850, 135.810, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.5

The structure of Crystal Structure of the Numa N-Terminal Hook Domain also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Numa N-Terminal Hook Domain (pdb code 6qja). 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 the Numa N-Terminal Hook Domain, PDB code: 6qja:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Numa N-Terminal Hook Domain


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 Numa N-Terminal Hook Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.3 occ:1.00 O A:HOH369 3.0 31.3 1.0 O A:HOH391 3.1 23.3 1.0 NE A:ARG114 3.2 24.8 1.0 NE1 A:TRP14 3.3 19.4 1.0 CD A:ARG114 3.9 25.5 1.0 CB A:SER106 4.0 20.9 1.0 CG2 A:THR107 4.1 19.1 1.0 CZ A:ARG114 4.1 28.7 1.0 CE2 A:TRP14 4.1 20.6 1.0 CB A:ARG114 4.1 24.4 1.0 NH2 A:ARG114 4.2 35.6 1.0 CH2 A:TRP116 4.3 24.6 1.0 CZ2 A:TRP14 4.3 22.6 1.0 CD1 A:TRP14 4.3 20.9 1.0 O A:HOH376 4.3 31.8 1.0 CD1 A:LEU103 4.4 20.3 1.0 N A:THR107 4.4 18.9 1.0 C A:SER106 4.5 19.7 1.0 CA A:THR107 4.7 18.3 1.0 CG A:ARG114 4.7 24.9 1.0 O A:SER106 4.7 23.2 1.0 CD2 A:LEU18 4.8 24.1 1.0 CZ2 A:TRP116 4.8 26.9 1.0 CA A:SER106 4.9 19.4 1.0 O A:HOH326 5.0 55.0 1.0 NH1 A:ARG42 5.0 29.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Numa N-Terminal Hook Domain


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 Numa N-Terminal Hook Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:46.6 occ:1.00 O D:HOH325 3.2 33.3 1.0 N D:VAL82 3.2 36.7 1.0 CG2 D:VAL82 3.2 46.6 1.0 ND2 D:ASN144 3.3 56.1 1.0 NH1 D:ARG72 3.3 54.8 1.0 CB D:VAL82 3.5 41.0 1.0 CD1 D:LEU81 3.8 69.3 1.0 CA D:VAL82 4.0 39.9 1.0 C D:LEU81 4.2 44.7 1.0 CG D:LEU81 4.2 61.8 1.0 CA D:LEU81 4.3 38.1 1.0 CG D:ASN144 4.3 41.6 1.0 CB D:LEU68 4.4 34.8 1.0 CZ D:ARG72 4.4 66.0 1.0 OD1 D:ASN144 4.4 47.4 1.0 CD D:ARG72 4.6 65.7 1.0 CG D:GLN69 4.7 68.5 1.0 NE D:ARG72 4.8 67.3 1.0 CB D:LEU81 4.8 53.1 1.0 CD1 D:LEU101 4.9 31.2 1.0 C D:LEU68 4.9 40.2 1.0 CG1 D:VAL82 4.9 45.6 1.0 O D:LEU68 4.9 41.4 1.0 O D:VAL82 4.9 41.4 1.0 O D:HOH334 5.0 40.3 1.0 C D:VAL82 5.0 40.4 1.0 N D:GLN69 5.0 38.0 1.0

M.Carminati, M.Mapelli. Crystal Structure of the Numa N-Terminal Hook Domain To Be Published.