Calcium in PDB 8gsu: Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain

The structure of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain, PDB code: 8gsu was solved by M.Iwasa, T.Oda, S.Takeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.249, 91.272, 115.321, 90, 90, 90
R / Rfree (%)	16.2 / 19.1

The structure of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain (pdb code 8gsu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain, PDB code: 8gsu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:13.5 occ:1.00 O B:PRO122 2.3 15.4 1.0 O B:HOH492 2.4 19.7 1.0 OD2 B:ASP115 2.4 14.8 1.0 O B:HOH497 2.4 15.7 1.0 O B:GLY120 2.5 13.9 1.0 OE1 A:GLU167 2.5 16.6 1.0 OD1 B:ASP115 2.6 15.3 1.0 CG B:ASP115 2.9 14.1 1.0 C B:GLY120 3.4 13.7 1.0 C B:PRO122 3.5 14.2 1.0 CD A:GLU167 3.6 17.3 1.0 CA B:GLY120 4.0 11.8 1.0 N B:PRO122 4.1 14.4 1.0 O A:HOH598 4.1 16.2 1.0 OE2 A:GLU167 4.1 12.6 1.0 C B:LEU121 4.2 11.7 1.0 CA B:PRO122 4.3 10.4 1.0 CB B:ASP115 4.4 8.8 1.0 O A:HOH890 4.4 28.0 1.0 N B:LEU121 4.4 12.3 1.0 O B:LEU121 4.5 13.1 1.0 O B:HOH339 4.5 20.2 1.0 N B:VAL123 4.5 10.8 1.0 O A:HOH535 4.5 21.2 1.0 O B:HOH515 4.5 39.5 1.0 CD B:PRO122 4.7 10.8 1.0 CA B:VAL123 4.7 10.5 1.0 CA B:LEU121 4.7 11.2 1.0 NE2 B:GLN124 4.8 10.6 1.0 O B:HOH475 4.8 26.8 1.0 O B:HOH326 4.8 17.0 1.0 CB B:PRO122 4.8 10.9 1.0 CG A:GLU167 4.9 11.5 1.0 CB A:GLU167 4.9 10.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:10.3 occ:1.00 OD1 B:ASP70 2.3 9.4 1.0 O B:GLY69 2.4 11.2 1.0 O B:VAL152 2.4 10.9 1.0 O B:HOH407 2.4 11.3 1.0 OE2 B:GLU103 2.4 10.8 1.0 O B:HOH472 2.4 13.1 1.0 OE1 B:GLU103 2.5 11.2 1.0 CD B:GLU103 2.8 8.9 1.0 C B:GLY69 3.4 10.1 1.0 CG B:ASP70 3.5 10.2 1.0 C B:VAL152 3.6 10.9 1.0 N B:VAL152 3.8 11.2 1.0 CA B:ASP70 4.0 8.7 1.0 N B:ASP70 4.1 9.4 1.0 O B:HOH342 4.2 9.6 1.0 CG2 B:VAL152 4.2 12.0 1.0 CA B:VAL152 4.2 9.6 1.0 CA B:GLY69 4.3 10.7 1.0 C B:GLY151 4.3 14.1 1.0 CG B:GLU103 4.3 9.8 1.0 CB B:ASP70 4.3 10.6 1.0 O B:HOH422 4.4 19.4 1.0 OD2 B:ASP70 4.4 10.0 1.0 CA B:GLY151 4.6 11.9 1.0 OG1 B:THR100 4.6 11.5 1.0 O B:HOH466 4.6 14.7 1.0 N B:GLU153 4.6 11.6 0.3 N B:GLU153 4.6 11.5 0.7 C B:GLU153 4.7 11.0 0.3 C B:GLU153 4.7 10.9 0.7 O B:HOH425 4.7 28.7 1.0 N B:THR154 4.7 11.3 1.0 OG1 B:THR99 4.7 9.8 1.0 O B:HOH344 4.8 11.1 1.0 CA B:GLU153 4.9 12.7 0.3 N B:THR100 4.9 9.1 1.0 CA B:GLU153 4.9 12.7 0.7 CB B:VAL152 4.9 11.6 1.0 CA B:THR99 4.9 9.0 1.0 O B:GLU153 4.9 11.2 0.7 O B:GLU153 5.0 11.3 0.3 O B:GLY151 5.0 19.4 1.0

M.Iwasa, S.Takeda, A.Narita, Y.Maeda, T.Oda. Mutagenic Analysis of Actin Reveals the Mechanism of HIS161 Flipping That Triggers Atp Hydrolysis Front Cell Dev Biol 2023.
ISSN: ESSN 2296-634X
DOI: 10.3389/FCELL.2023.1105460