Calcium in PDB 5hgj: Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition

The structure of Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition, PDB code: 5hgj was solved by K.L.Brown, S.Banerjee, A.Feigley, H.Abe, T.Blackwell, R.Zent, A.Pozzi, B.H.Hudson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.98 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.369, 95.950, 53.078, 90.00, 104.00, 90.00
R / Rfree (%)	17.8 / 20.5

The structure of Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition (pdb code 5hgj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition, PDB code: 5hgj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:14.8 occ:1.00 OG A:SER44 2.3 15.3 1.0 O A:HOH748 2.3 13.4 1.0 OD1 A:ASP143 2.4 12.0 1.0 O A:HOH734 2.4 18.5 1.0 O A:HOH862 2.5 24.4 1.0 O A:HOH871 2.5 19.9 1.0 OG A:SER42 2.7 17.7 1.0 CG A:ASP143 3.4 12.3 1.0 CB A:SER44 3.5 14.1 1.0 CB A:SER42 3.7 24.6 1.0 OD2 A:ASP143 3.7 12.1 1.0 O A:ASP143 4.2 13.0 1.0 OG1 A:THR110 4.2 18.2 1.0 C A:ASP143 4.3 11.2 1.0 OD2 A:ASP40 4.5 13.2 1.0 N A:GLY144 4.5 11.1 1.0 O A:HOH764 4.5 24.9 1.0 CA A:GLY144 4.6 13.9 1.0 N A:SER44 4.6 16.1 1.0 CA A:SER44 4.6 14.8 1.0 CB A:ASP143 4.7 10.9 1.0 OG A:SER174 4.8 18.3 1.0 O A:HOH882 4.8 30.9 1.0 CA A:SER42 4.9 17.0 1.0 OD1 A:ASP40 4.9 17.4 1.0 CA A:ASP143 4.9 9.7 1.0

Calcium binding site 2 out of 2 in the Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Integrin ALPHA1BETA1 and ALPHA2BETA1 I-Domains Explain Differential Calcium-Mediated Ligand Recognition within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:15.8 occ:1.00 O B:HOH735 2.3 16.0 1.0 O B:HOH792 2.4 18.1 1.0 OG B:SER344 2.4 14.7 1.0 OD1 B:ASP443 2.4 11.9 1.0 O B:HOH867 2.4 23.4 1.0 O B:HOH855 2.5 25.4 1.0 OG B:SER342 2.6 16.5 1.0 CG B:ASP443 3.3 12.1 1.0 CB B:SER342 3.5 18.9 1.0 CB B:SER344 3.6 15.2 1.0 OD2 B:ASP443 3.6 13.6 1.0 OG1 B:THR410 4.1 21.2 1.0 O B:ASP443 4.2 13.2 1.0 C B:ASP443 4.3 12.9 1.0 OD2 B:ASP340 4.4 13.8 1.0 N B:GLY444 4.4 12.1 1.0 O B:HOH829 4.5 28.1 1.0 N B:SER344 4.5 16.9 1.0 CA B:GLY444 4.5 14.2 1.0 O B:HOH758 4.6 27.3 1.0 CA B:SER344 4.6 16.1 1.0 CB B:ASP443 4.7 11.3 1.0 CA B:SER342 4.8 14.6 1.0 OD1 B:ASP340 4.8 18.2 1.0 OG B:SER474 4.9 16.5 1.0 C B:SER342 4.9 16.2 1.0 CA B:ASP443 5.0 10.5 1.0 CG B:ASP340 5.0 13.5 1.0

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