Calcium in PDB 8gt5: Crystal Structure of Human Cardiac Alpha Actin Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain

The structure of Crystal Structure of Human Cardiac Alpha Actin Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain, PDB code: 8gt5 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)	35.32 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.157, 91.02, 114.957, 90, 90, 90
R / Rfree (%)	16.5 / 18.5

The structure of Crystal Structure of Human Cardiac Alpha Actin Q137A Mutant (Adp-Pi State) 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 Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain (pdb code 8gt5). 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 Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain, PDB code: 8gt5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Cardiac Alpha Actin Q137A Mutant (Adp-Pi State) 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 Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:16.7 occ:1.00 O B:PRO122 2.3 16.2 1.0 O B:HOH491 2.4 22.8 1.0 OD2 B:ASP115 2.4 16.7 1.0 O A:HOH849 2.5 21.6 1.0 OE1 A:GLU167 2.5 22.2 1.0 O B:GLY120 2.5 17.4 1.0 OD1 B:ASP115 2.6 16.8 1.0 CG B:ASP115 2.8 14.7 1.0 C B:GLY120 3.4 14.8 1.0 C B:PRO122 3.5 14.7 1.0 CD A:GLU167 3.7 19.9 1.0 CA B:GLY120 4.0 14.6 1.0 O A:HOH615 4.0 17.8 1.0 N B:PRO122 4.1 14.2 1.0 OE2 A:GLU167 4.2 15.1 1.0 O A:HOH972 4.2 41.3 1.0 C B:LEU121 4.2 14.5 1.0 CA B:PRO122 4.3 14.1 1.0 CB B:ASP115 4.4 11.9 1.0 N B:LEU121 4.4 15.3 1.0 O B:LEU121 4.4 16.4 1.0 N B:VAL123 4.5 11.9 1.0 O B:HOH501 4.5 37.2 1.0 O B:HOH344 4.5 23.5 1.0 O A:HOH881 4.6 27.3 1.0 CD B:PRO122 4.6 13.9 1.0 O A:HOH532 4.6 26.9 1.0 CA B:VAL123 4.7 12.0 1.0 CA B:LEU121 4.7 15.7 1.0 O B:HOH322 4.8 18.2 1.0 NE2 B:GLN124 4.8 12.8 1.0 CB B:PRO122 4.8 13.7 1.0 CG A:GLU167 4.9 14.0 1.0 CB A:GLU167 4.9 12.0 1.0 O B:HOH477 4.9 28.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Cardiac Alpha Actin Q137A Mutant (Adp-Pi State) 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 Q137A Mutant (Adp-Pi State) in Complex with Fragmin F1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:11.4 occ:1.00 OD1 B:ASP70 2.3 12.0 1.0 O B:HOH424 2.4 12.5 1.0 O B:GLY69 2.4 11.8 1.0 O B:VAL152 2.4 11.8 1.0 OE2 B:GLU103 2.4 12.5 1.0 O B:HOH470 2.5 13.9 1.0 OE1 B:GLU103 2.5 12.0 1.0 CD B:GLU103 2.8 10.9 1.0 C B:GLY69 3.4 11.0 1.0 CG B:ASP70 3.5 11.2 1.0 C B:VAL152 3.5 11.6 1.0 N B:VAL152 3.8 12.6 1.0 CA B:ASP70 4.0 9.6 1.0 N B:ASP70 4.1 11.1 1.0 CA B:VAL152 4.2 11.5 1.0 O B:HOH330 4.2 10.9 1.0 CG2 B:VAL152 4.3 14.4 1.0 CA B:GLY69 4.3 11.6 1.0 C B:GLY151 4.3 14.6 1.0 CG B:GLU103 4.3 10.5 1.0 CB B:ASP70 4.4 11.8 1.0 O B:HOH410 4.4 19.4 1.0 OD2 B:ASP70 4.4 11.7 1.0 CA B:GLY151 4.6 13.3 1.0 N B:GLU153 4.6 12.0 1.0 OG1 B:THR100 4.6 12.4 1.0 O B:HOH432 4.6 16.5 1.0 C B:GLU153 4.7 11.6 1.0 O B:HOH369 4.7 28.1 1.0 N B:THR154 4.7 10.8 1.0 OG1 B:THR99 4.8 10.9 1.0 O B:HOH349 4.8 11.9 1.0 CA B:GLU153 4.9 12.8 1.0 N B:THR100 4.9 10.4 1.0 CB B:VAL152 4.9 11.4 1.0 CA B:THR99 4.9 11.5 1.0 O B:GLY151 5.0 19.1 1.0 O B:GLU153 5.0 12.5 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