Chlorine in PDB 6iu5: Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions

The structure of Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions, PDB code: 6iu5 was solved by T.Kato, T.Nishizawa, K.Yamashita, K.Kumazaki, R.Ishitani, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.51 / 2.25
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	84.942, 84.942, 98.190, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 25

The structure of Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions also contains other interesting chemical elements:

Zinc

(Zn)

27 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions (pdb code 6iu5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions, PDB code: 6iu5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


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 Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:64.4 occ:1.00 C A:LYS141 3.6 48.2 1.0 CA A:LYS141 3.7 45.7 1.0 N A:GLN143 3.7 49.2 1.0 CB A:LYS141 3.9 53.0 1.0 N A:PRO142 3.9 50.4 1.0 CB A:GLN143 3.9 60.4 1.0 CD A:PRO142 4.0 55.6 1.0 O A:LYS141 4.1 53.5 1.0 CA A:GLN143 4.3 54.0 1.0 N A:ALA144 4.4 46.7 1.0 CG A:LYS141 4.6 54.7 1.0 CG A:GLN143 4.7 70.7 1.0 C A:PRO142 4.7 51.8 1.0 CA A:PRO142 4.8 50.0 1.0 CD A:GLN143 4.9 79.1 1.0 C A:GLN143 4.9 49.0 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


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 Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:77.6 occ:1.00 CB B:GLN143 3.5 76.9 1.0 N B:GLN143 3.7 61.1 1.0 CB B:LYS141 3.9 59.4 1.0 C B:LYS141 4.0 67.3 1.0 N B:ALA144 4.0 58.4 1.0 CA B:LYS141 4.0 62.7 1.0 CA B:GLN143 4.0 69.8 1.0 N B:PRO142 4.2 76.3 1.0 O B:LYS141 4.2 66.5 1.0 CD B:PRO142 4.5 74.5 1.0 C B:GLN143 4.5 63.1 1.0 CG B:LYS141 4.5 62.6 1.0 CG B:GLN143 4.5 84.4 1.0 C B:PRO142 4.8 62.9 1.0 CB B:ALA144 4.9 55.9 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


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 Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:79.5 occ:1.00 CA C:LYS141 3.6 58.2 1.0 C C:LYS141 3.6 59.3 1.0 CB C:GLN143 3.7 66.2 1.0 N C:GLN143 3.7 56.5 1.0 CB C:LYS141 3.7 66.0 1.0 N C:PRO142 3.9 63.1 1.0 CD C:PRO142 4.1 66.0 1.0 O C:LYS141 4.1 50.5 1.0 CA C:GLN143 4.3 58.6 1.0 N C:ALA144 4.4 54.1 1.0 CG C:LYS141 4.5 71.4 1.0 C C:PRO142 4.7 60.0 1.0 CA C:PRO142 4.8 64.3 1.0 C C:GLN143 4.9 56.1 1.0 CG C:GLN143 5.0 64.3 1.0 N C:LYS141 5.0 59.9 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


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 Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl204 b:72.0 occ:1.00 ND1 F:HIS129 3.0 44.2 1.0 N F:HIS129 3.1 45.6 1.0 CD F:PRO128 3.6 44.1 1.0 CB F:PRO128 3.6 48.8 1.0 N F:PRO128 3.6 41.1 1.0 CB F:HIS129 3.7 45.9 1.0 CG F:HIS129 3.8 46.8 1.0 C F:PRO128 3.8 47.7 1.0 CA F:PRO128 3.9 43.8 1.0 CA F:HIS129 3.9 49.2 1.0 CB F:GLU127 3.9 50.2 1.0 CG F:PRO128 4.0 54.0 1.0 CE1 F:HIS129 4.1 44.2 1.0 OE1 F:GLU127 4.1 66.7 1.0 C F:GLU127 4.3 41.0 1.0 CA F:GLU127 4.7 43.9 1.0 O F:HOH322 4.8 54.2 1.0 O F:PRO128 4.9 46.5 1.0 CD F:GLU127 4.9 58.6 1.0 CG F:GLU127 5.0 54.5 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


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 Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl205 b:74.6 occ:1.00 CB F:GLN143 3.7 52.7 1.0 CA F:LYS141 3.7 43.1 1.0 C F:LYS141 3.7 44.4 1.0 N F:GLN143 3.8 43.1 1.0 CB F:LYS141 3.8 45.3 1.0 CG F:GLN143 4.0 70.8 1.0 N F:PRO142 4.0 51.6 1.0 O F:LYS141 4.2 43.5 1.0 N F:ALA144 4.2 42.9 1.0 CA F:GLN143 4.2 44.9 1.0 CD F:PRO142 4.3 52.4 1.0 CG F:LYS141 4.5 49.6 1.0 C F:GLN143 4.7 45.5 1.0 C F:PRO142 4.8 41.8 1.0 CA F:PRO142 5.0 48.2 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Cytoplasmic Metal Binding Domain with Zinc Ions within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl202 b:67.8 occ:1.00 CB H:GLN143 3.6 66.4 1.0 N H:GLN143 3.6 57.7 1.0 CA H:LYS141 3.7 65.6 1.0 C H:LYS141 3.7 70.8 1.0 CB H:LYS141 3.8 59.8 1.0 N H:PRO142 4.0 77.4 1.0 CA H:GLN143 4.1 63.8 1.0 O H:LYS141 4.1 62.4 1.0 CD H:PRO142 4.3 79.3 1.0 CG H:LYS141 4.3 62.4 1.0 N H:ALA144 4.4 48.9 1.0 CD H:LYS141 4.6 66.1 1.0 C H:PRO142 4.6 57.6 1.0 CG H:GLN143 4.8 74.0 1.0 C H:GLN143 4.8 57.5 1.0 CG H:PRO142 4.8 77.2 1.0 CA H:PRO142 4.9 70.5 1.0

T.Kato, K.Kumazaki, M.Wada, R.Taniguchi, T.Nakane, K.Yamashita, K.Hirata, R.Ishitani, K.Ito, T.Nishizawa, O.Nureki. Crystal Structure of Plant Vacuolar Iron Transporter VIT1. Nat Plants V. 5 308 2019.
ISSN: ESSN 2055-0278
PubMed: 30742036
DOI: 10.1038/S41477-019-0367-2