Chlorine in PDB 5hj2: Integrin ALPHA2BETA1 I-Domain

The structure of Integrin ALPHA2BETA1 I-Domain, PDB code: 5hj2 was solved by K.L.Brown, S.Banerjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	101.87 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.066, 144.066, 130.004, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28.4

The structure of Integrin ALPHA2BETA1 I-Domain also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the Integrin ALPHA2BETA1 I-Domain (pdb code 5hj2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Integrin ALPHA2BETA1 I-Domain, PDB code: 5hj2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Integrin ALPHA2BETA1 I-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Integrin ALPHA2BETA1 I-Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:27.7 occ:0.50 O A:HOH463 3.1 23.1 1.0 NZ A:LYS27 3.1 18.6 1.0 CD1 A:TRP23 3.6 18.2 1.0 CE A:LYS27 3.8 20.1 1.0 O A:THR77 4.0 22.1 1.0 CD A:LYS27 4.2 23.1 1.0 O A:HOH466 4.2 32.3 1.0 NE1 A:TRP23 4.4 17.4 1.0 OG A:SER78 4.6 24.3 1.0 CG A:TRP23 4.6 20.4 1.0 CA A:SER78 4.7 22.6 1.0 CB A:TRP23 4.9 21.5 1.0

Chlorine binding site 2 out of 4 in the Integrin ALPHA2BETA1 I-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Integrin ALPHA2BETA1 I-Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:52.7 occ:1.00 ND2 A:ASN28 2.4 27.3 1.0 OD1 A:ASP24 2.8 29.6 1.0 OD2 A:ASP24 3.0 24.1 1.0 CG A:ASP24 3.3 24.7 1.0 CG A:ASN28 3.5 26.1 1.0 OD1 A:ASN28 3.8 30.6 1.0 O A:ASP24 4.3 23.2 1.0 CB A:ASP24 4.7 22.1 1.0 CB A:ASN28 4.8 26.4 1.0 N A:ASN28 4.8 21.0 1.0 CA A:ASN28 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in the Integrin ALPHA2BETA1 I-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Integrin ALPHA2BETA1 I-Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:40.2 occ:1.00 NZ B:LYS188 3.1 40.0 1.0 N B:ASN178 3.4 15.3 1.0 O B:ASN178 3.6 22.4 1.0 O B:HOH461 3.7 35.5 1.0 CA B:PHE177 3.9 18.0 1.0 CE B:LYS188 4.0 33.8 1.0 C B:PHE177 4.2 16.2 1.0 CA B:ASN178 4.3 21.3 1.0 CD2 B:PHE177 4.3 20.3 1.0 C B:ASN178 4.3 21.3 1.0 CB B:ASN178 4.4 22.7 1.0 CB B:PHE177 4.4 17.4 1.0 O B:PHE176 4.6 18.4 1.0 CG B:PHE177 4.7 18.0 1.0

Chlorine binding site 4 out of 4 in the Integrin ALPHA2BETA1 I-Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Integrin ALPHA2BETA1 I-Domain within 5.0Å range:

K.L.Brown, S.Banerjee, A.Feigley, H.Abe, T.S.Blackwell, A.Pozzi, B.G.Hudson, R.Zent. Salt-Bridge Modulates Differential Calcium-Mediated Ligand Binding to Integrin Alpha 1- and Alpha 2-I Domains. Sci Rep V. 8 2916 2018.
ISSN: ESSN 2045-2322
PubMed: 29440721
DOI: 10.1038/S41598-018-21231-1