Calcium in PDB 5mvv: Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex

The structure of Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex, PDB code: 5mvv was solved by S.Panneerselvam, E.-P.Kumpula, I.Kursula, A.Burkhardt, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.55 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	110.420, 68.920, 71.550, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 15.9

The structure of Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex also contains other interesting chemical elements:

Cadmium

(Cd)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex (pdb code 5mvv). 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 Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex, PDB code: 5mvv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex


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 Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:15.8 occ:0.94 O G:ALA116 2.3 17.5 1.0 O G:HOH367 2.3 26.3 1.0 OD2 G:ASP109 2.3 16.3 1.0 OE1 A:GLU168 2.4 19.0 1.0 O G:HOH385 2.4 34.5 1.0 O G:GLY114 2.4 19.7 1.0 OD1 G:ASP109 2.9 15.4 1.0 CG G:ASP109 3.0 13.9 1.0 C G:GLY114 3.4 16.8 1.0 CD A:GLU168 3.5 16.5 1.0 C G:ALA116 3.5 15.4 1.0 O A:HOH739 3.8 30.6 1.0 N G:ALA116 3.9 16.0 1.0 CA G:GLY114 4.0 17.6 1.0 OE2 A:GLU168 4.0 16.0 1.0 CA G:ALA116 4.2 15.1 1.0 N G:ARG115 4.3 16.5 0.5 O A:HOH616 4.3 22.7 0.9 C G:ARG115 4.3 16.4 0.5 N G:ARG115 4.3 17.1 0.5 C G:ARG115 4.4 16.6 0.5 CB G:ASP109 4.4 12.2 1.0 O A:HOH669 4.5 26.7 0.3 O G:HOH395 4.5 62.1 1.0 N G:VAL117 4.5 14.1 1.0 CA G:ARG115 4.6 18.0 0.5 NE2 G:GLN118 4.6 11.9 1.0 CG A:GLU168 4.7 13.5 1.0 CA G:ARG115 4.7 18.9 0.5 CB A:GLU168 4.7 12.0 1.0 CA G:VAL117 4.7 13.9 1.0 O A:HOH669 4.8 19.7 0.7 O G:ARG115 4.8 16.1 0.5 CB G:ALA116 4.8 15.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex


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 Plasmodium Falciparum Actin I- Gelsolin Segment 1 -Cdatp Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca201 b:10.8 occ:1.00 OD1 G:ASP66 2.3 11.8 1.0 O G:GLY65 2.4 10.3 1.0 O G:VAL145 2.4 11.6 1.0 O G:HOH372 2.4 13.1 1.0 O G:HOH382 2.4 13.4 1.0 OE2 G:GLU97 2.4 11.2 1.0 OE1 G:GLU97 2.5 10.9 1.0 CD G:GLU97 2.8 10.9 1.0 C G:GLY65 3.4 10.0 1.0 CG G:ASP66 3.5 11.0 1.0 C G:VAL145 3.6 11.7 1.0 N G:VAL145 3.9 11.8 1.0 CA G:ASP66 4.0 9.1 1.0 N G:ASP66 4.1 9.7 1.0 CG1 G:VAL145 4.2 13.4 1.0 O G:HOH322 4.2 10.9 1.0 CA G:VAL145 4.3 12.2 1.0 C G:GLY144 4.3 11.7 1.0 CB G:ASP66 4.4 9.7 1.0 CA G:GLY65 4.4 10.0 1.0 CG G:GLU97 4.4 10.3 1.0 OD2 G:ASP66 4.4 11.8 1.0 O G:HOH349 4.5 22.1 1.0 C G:ALA146 4.5 11.2 1.0 CA G:GLY144 4.5 13.6 1.0 N G:SER147 4.6 11.9 0.8 N G:SER147 4.6 12.2 0.2 N G:ALA146 4.6 12.2 1.0 OG G:SER94 4.6 13.2 1.0 O G:HOH390 4.8 30.4 1.0 O G:HOH411 4.8 29.6 1.0 O G:ALA146 4.8 12.2 1.0 CA G:ALA146 4.8 11.7 1.0 N G:SER94 4.8 10.2 1.0 CA G:CYS93 4.9 11.2 1.0 CB G:VAL145 4.9 13.8 1.0 O G:HOH353 4.9 11.9 1.0

S.Panneerselvam, E.P.Kumpula, I.Kursula, A.Burkhardt, A.Meents. Rapid Cadmium Sad Phasing at the Standard Wavelength (1 Angstrom ). Acta Crystallogr D Struct V. 73 581 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28695858
DOI: 10.1107/S2059798317006970