Chlorine in PDB 6wu5: Human Calcium and Integrin Binding Protein 3

The structure of Human Calcium and Integrin Binding Protein 3, PDB code: 6wu5 was solved by G.Dionne, L.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.32 / 1.88
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.752, 61.752, 180.969, 90, 90, 120
R / Rfree (%)	17.8 / 20.6

The structure of Human Calcium and Integrin Binding Protein 3 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Human Calcium and Integrin Binding Protein 3 (pdb code 6wu5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Human Calcium and Integrin Binding Protein 3, PDB code: 6wu5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:83.2 occ:1.00 HB A:THR23 2.9 57.4 1.0 H A:ARG24 3.0 56.6 1.0 O A:HOH366 3.1 62.4 1.0 OE1 A:GLN17 3.1 80.7 1.0 HA A:THR23 3.6 60.0 1.0 CB A:THR23 3.8 57.4 1.0 HB2 A:ARG24 3.8 58.0 1.0 N A:ARG24 3.9 56.6 1.0 HG22 A:THR23 4.1 65.7 1.0 CA A:THR23 4.1 60.0 1.0 CD A:GLN17 4.2 76.5 1.0 HE22 A:GLN17 4.3 73.2 1.0 CG2 A:THR23 4.3 65.7 1.0 HG21 A:THR23 4.4 65.7 1.0 HG3 A:ARG24 4.5 64.1 1.0 C A:THR23 4.6 51.4 1.0 CB A:ARG24 4.6 58.0 1.0 NE2 A:GLN17 4.7 73.2 1.0 H A:LYS25 4.7 63.2 1.0 HE A:ARG24 4.8 90.0 1.0 OG1 A:THR23 4.8 56.1 1.0 HD2 A:ARG24 4.8 67.4 1.0 CA A:ARG24 4.9 57.4 1.0 HG1 A:THR23 4.9 56.1 1.0 CG A:ARG24 5.0 64.1 1.0

Chlorine binding site 2 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:66.6 occ:1.00 HH22 A:ARG71 2.8 45.7 1.0 HH12 A:ARG71 3.0 44.6 1.0 O A:HOH345 3.6 44.7 1.0 NH2 A:ARG71 3.6 45.7 1.0 NH1 A:ARG71 3.7 44.6 1.0 CZ A:ARG71 4.2 48.6 1.0 HH21 A:ARG71 4.3 45.7 1.0 HH11 A:ARG71 4.4 44.6 1.0 HG2 A:LYS66 4.5 60.7 1.0 HZ3 A:LYS66 4.7 68.9 1.0 HE2 A:LYS66 4.7 76.5 1.0

Chlorine binding site 3 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:61.2 occ:1.00 HE2 B:HIS184 2.1 39.7 1.0 NE2 B:HIS184 2.8 39.7 1.0 HD2 A:LYS107 2.9 36.3 1.0 HA A:ARG104 2.9 39.1 1.0 HE1 B:HIS184 3.1 47.7 1.0 HB2 A:ARG104 3.2 42.0 1.0 O A:HOH360 3.2 49.3 1.0 O A:HOH347 3.3 50.5 1.0 CE1 B:HIS184 3.3 47.7 1.0 HG3 A:ARG104 3.4 42.5 1.0 HD13 B:LEU180 3.5 38.4 1.0 HG2 A:ARG104 3.6 42.5 1.0 CA A:ARG104 3.7 39.1 1.0 CB A:ARG104 3.7 42.0 1.0 CG A:ARG104 3.7 42.5 1.0 HD12 B:LEU180 3.7 38.4 1.0 HE A:ARG175 3.8 41.9 1.0 CD A:LYS107 3.8 36.3 1.0 CD1 B:LEU180 4.1 38.4 1.0 CD2 B:HIS184 4.1 39.3 1.0 HH21 A:ARG175 4.1 44.0 1.0 HE3 A:LYS107 4.1 40.2 1.0 HD3 A:LYS107 4.2 36.3 1.0 HB2 A:LYS107 4.2 31.2 1.0 N A:ARG104 4.3 38.0 1.0 NE A:ARG175 4.4 41.9 1.0 CE A:LYS107 4.4 40.2 1.0 HD2 B:HIS184 4.4 39.3 1.0 HB3 B:LEU180 4.5 35.1 1.0 H A:ARG104 4.5 38.0 1.0 HE2 A:LYS107 4.6 40.2 1.0 HG3 A:ARG175 4.6 29.8 1.0 NH2 A:ARG175 4.6 44.0 1.0 ND1 B:HIS184 4.6 43.2 1.0 HB3 A:ARG104 4.6 42.0 1.0 HD11 B:LEU180 4.6 38.4 1.0 HB2 B:LEU180 4.7 35.1 1.0 CG A:LYS107 4.8 36.7 1.0 C A:ARG104 4.8 36.8 1.0 HG3 A:LYS107 4.8 36.7 1.0 O A:HOH343 4.8 50.7 1.0 CZ A:ARG175 4.8 39.4 1.0 O A:ARG104 4.9 35.8 1.0 CB A:LYS107 4.9 31.2 1.0 CB B:LEU180 5.0 35.1 1.0

Chlorine binding site 4 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:48.6 occ:1.00 O B:HOH374 2.6 56.0 1.0 HD2 B:LYS107 3.0 36.8 1.0 HH11 B:ARG175 3.0 40.6 1.0 HE2 A:HIS184 3.1 41.8 1.0 HA B:ARG104 3.1 39.8 1.0 HD2 B:ARG175 3.1 35.7 1.0 HG2 B:ARG104 3.4 45.0 1.0 HD13 A:LEU180 3.4 34.1 1.0 HB2 B:ARG104 3.5 43.5 1.0 NH1 B:ARG175 3.7 40.6 1.0 HE1 A:HIS184 3.7 39.6 1.0 NE2 A:HIS184 3.8 41.8 1.0 CD B:LYS107 3.8 36.8 1.0 HD12 A:LEU180 3.9 34.1 1.0 CA B:ARG104 3.9 39.8 1.0 CD B:ARG175 3.9 35.7 1.0 HD3 B:ARG175 3.9 35.7 1.0 CG B:ARG104 4.0 45.0 1.0 HG3 B:ARG104 4.0 45.0 1.0 CB B:ARG104 4.0 43.5 1.0 HD3 B:LYS107 4.0 36.8 1.0 HH12 B:ARG175 4.0 40.6 1.0 CE1 A:HIS184 4.1 39.6 1.0 CD1 A:LEU180 4.1 34.1 1.0 HB3 A:LEU180 4.1 36.8 1.0 HE3 B:LYS107 4.1 36.4 1.0 HB2 B:LYS107 4.3 34.1 1.0 HB2 A:LEU180 4.5 36.8 1.0 CZ B:ARG175 4.5 34.8 1.0 CE B:LYS107 4.5 36.4 1.0 NE B:ARG175 4.6 34.6 1.0 N B:ARG104 4.6 40.9 1.0 CB A:LEU180 4.7 36.8 1.0 HD11 A:LEU180 4.8 34.1 1.0 HE2 B:LYS107 4.8 36.4 1.0 H B:ARG104 4.8 40.9 1.0 HD11 A:LEU147 4.8 66.6 1.0 HG2 A:GLU144 4.9 55.4 1.0 CG B:LYS107 4.9 35.0 1.0 HB3 B:ARG104 4.9 43.5 1.0 HG3 B:ARG175 4.9 30.5 1.0 CB B:LYS107 5.0 34.1 1.0 O B:ARG104 5.0 33.8 1.0 C B:ARG104 5.0 35.4 1.0

Chlorine binding site 5 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:62.7 occ:1.00 HB2 B:ARG24 2.8 43.5 1.0 H B:LYS25 2.8 39.9 1.0 HB B:THR23 2.9 41.3 1.0 H B:ARG24 2.9 39.3 1.0 HG3 B:LYS25 3.0 63.4 1.0 N B:ARG24 3.5 39.3 1.0 HD2 B:LYS25 3.5 56.7 1.0 N B:LYS25 3.6 39.9 1.0 CB B:ARG24 3.7 43.5 1.0 CB B:THR23 3.8 41.3 1.0 CG B:LYS25 3.9 63.4 1.0 HE22 B:GLN17 3.9 62.5 1.0 HB2 B:LYS25 4.0 50.5 1.0 CA B:ARG24 4.0 38.6 1.0 HG1 B:THR23 4.0 42.0 1.0 OG1 B:THR23 4.1 42.0 1.0 CD B:LYS25 4.1 56.7 1.0 HE B:ARG24 4.2 73.5 1.0 NE B:ARG24 4.2 73.5 1.0 HB3 B:ARG24 4.2 43.5 1.0 CZ B:ARG24 4.2 78.9 1.0 C B:ARG24 4.3 35.5 1.0 HH21 B:ARG24 4.3 77.7 1.0 NH2 B:ARG24 4.3 77.7 1.0 CB B:LYS25 4.3 50.5 1.0 C B:THR23 4.3 37.8 1.0 HG3 B:ARG24 4.4 54.0 1.0 HE2 B:LYS25 4.4 73.0 1.0 CG B:ARG24 4.5 54.0 1.0 CA B:THR23 4.5 41.4 1.0 NE2 B:GLN17 4.5 62.5 1.0 HA B:THR23 4.5 41.4 1.0 CA B:LYS25 4.6 43.8 1.0 HG2 B:LYS25 4.6 63.4 1.0 HH22 B:ARG24 4.7 77.7 1.0 HG21 B:THR23 4.7 47.8 1.0 NH1 B:ARG24 4.8 78.6 1.0 CD B:ARG24 4.8 57.2 1.0 HE21 B:GLN17 4.8 62.5 1.0 HD2 B:ARG24 4.8 57.2 1.0 CG2 B:THR23 4.8 47.8 1.0 CE B:LYS25 4.9 73.0 1.0 HD3 B:LYS25 4.9 56.7 1.0 HA B:ARG24 4.9 38.6 1.0 O B:HOH318 4.9 51.1 1.0

Chlorine binding site 6 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:79.8 occ:1.00 HD2 B:ARG29 2.6 58.5 1.0 HB3 B:LYS25 3.2 50.5 1.0 CD B:ARG29 3.4 58.5 1.0 HD3 B:ARG29 3.5 58.5 1.0 HG3 B:ARG29 3.5 53.0 1.0 HH11 B:ARG29 3.6 68.4 1.0 HB2 B:LYS25 3.8 50.5 1.0 CB B:LYS25 3.9 50.5 1.0 CG B:ARG29 4.0 53.0 1.0 HG3 B:GLU26 4.0 42.0 1.0 HA B:GLU26 4.1 38.8 1.0 HG2 B:GLU26 4.2 42.0 1.0 C B:LYS25 4.2 40.2 1.0 HD3 B:LYS25 4.3 56.7 1.0 O B:LYS25 4.3 39.7 1.0 O B:HOH318 4.4 51.1 1.0 NH1 B:ARG29 4.4 68.4 1.0 N B:GLU26 4.5 37.4 1.0 HG2 B:ARG29 4.6 53.0 1.0 NE B:ARG29 4.6 64.6 1.0 CG B:GLU26 4.6 42.0 1.0 CA B:LYS25 4.7 43.8 1.0 CA B:GLU26 4.7 38.8 1.0 H B:GLU26 4.8 37.4 1.0 HB2 B:ARG29 4.9 40.5 1.0 CZ B:ARG29 5.0 68.1 1.0 HH12 B:ARG29 5.0 68.4 1.0

Chlorine binding site 7 out of 7 in the Human Calcium and Integrin Binding Protein 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Human Calcium and Integrin Binding Protein 3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:83.4 occ:1.00 O B:HOH368 2.4 60.3 1.0 O B:HOH377 2.5 58.0 1.0 HH12 B:ARG71 2.8 54.6 1.0 HH12 B:ARG137 2.8 65.9 1.0 HH22 B:ARG137 3.0 72.7 1.0 HA B:PRO69 3.4 47.4 1.0 HH22 B:ARG71 3.6 63.0 1.0 NH1 B:ARG137 3.6 65.9 1.0 NH1 B:ARG71 3.6 54.6 1.0 NH2 B:ARG137 3.7 72.7 1.0 HB3 B:PRO69 4.0 54.9 1.0 CZ B:ARG137 4.1 72.6 1.0 HH11 B:ARG71 4.2 54.6 1.0 HH11 B:ARG137 4.2 65.9 1.0 NH2 B:ARG71 4.3 63.0 1.0 CA B:PRO69 4.3 47.4 1.0 HH21 B:ARG137 4.4 72.7 1.0 CZ B:ARG71 4.4 60.3 1.0 CB B:PRO69 4.7 54.9 1.0 N B:PRO69 4.9 47.0 1.0

X.Liang, X.Qiu, G.Dionne, C.Cunningham, M.L.Pucak, G.Peng, Y.Kim, A.Lauer, L.Shapiro, U.Mueller. CIB2 and CIB3 Are Auxiliary Subunits of the Mechanotransduction Channel of Hair Cells Neuron 2021.
ISSN: ISSN 0896-6273
DOI: 10.1016/J.NEURON.2021.05.007