Calcium in PDB 6i4l: Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State

The structure of Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State, PDB code: 6i4l was solved by E.-P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.36 / 1.83
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	69.450, 71.330, 110.310, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.3

The structure of Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State (pdb code 6i4l). 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 (G115A Mutant) in the Mg-K-Atp/Adp State, PDB code: 6i4l:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State


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 (G115A Mutant) in the Mg-K-Atp/Adp State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca201 b:20.4 occ:1.00 OD1 G:ASP42 2.3 17.9 1.0 O G:GLY41 2.3 18.7 1.0 O G:VAL121 2.3 22.4 1.0 O G:HOH381 2.4 23.5 1.0 OE2 G:GLU73 2.4 18.8 1.0 O G:HOH377 2.5 17.0 1.0 OE1 G:GLU73 2.6 19.5 1.0 CD G:GLU73 2.9 17.1 1.0 HA G:ASP42 3.2 20.9 1.0 C G:GLY41 3.3 20.0 1.0 HG13 G:VAL121 3.5 27.1 1.0 CG G:ASP42 3.5 20.4 1.0 C G:VAL121 3.5 22.1 1.0 H G:VAL121 3.8 24.5 1.0 HA3 G:GLY120 3.9 30.4 1.0 N G:VAL121 3.9 20.4 1.0 CA G:ASP42 3.9 17.4 1.0 HA G:CYS69 3.9 22.3 1.0 HG12 G:VAL121 4.0 27.1 1.0 N G:ASP42 4.0 17.9 1.0 HA3 G:GLY41 4.1 25.6 1.0 H G:SER70 4.1 21.4 1.0 CG1 G:VAL121 4.2 22.6 1.0 O G:HOH339 4.2 15.5 1.0 CA G:VAL121 4.3 21.5 1.0 CB G:ASP42 4.3 18.1 1.0 HA G:ALA122 4.3 28.8 1.0 C G:GLY120 4.3 22.9 1.0 CA G:GLY41 4.3 21.3 1.0 CG G:GLU73 4.4 15.1 1.0 OD2 G:ASP42 4.4 21.7 1.0 N G:ALA122 4.5 24.3 1.0 HB2 G:CYS69 4.6 22.9 1.0 C G:ALA122 4.6 23.5 1.0 CA G:GLY120 4.6 25.4 1.0 O G:HOH383 4.6 22.7 1.0 O G:HOH350 4.6 29.6 1.0 O G:HOH384 4.6 27.2 1.0 OG G:SER70 4.6 21.1 1.0 N G:SER123 4.7 24.0 1.0 CA G:ALA122 4.7 24.0 1.0 HA2 G:GLY41 4.7 25.6 1.0 HG3 G:GLU73 4.7 18.1 1.0 HB3 G:ASP42 4.7 21.8 1.0 O G:HOH325 4.7 21.6 1.0 H G:SER123 4.8 28.8 1.0 HG2 G:GLU73 4.8 18.1 1.0 HA G:SER123 4.8 29.8 1.0 CA G:CYS69 4.8 18.6 1.0 H G:ASP42 4.9 21.5 1.0 CB G:VAL121 4.9 25.4 1.0 O G:ALA122 4.9 20.4 1.0 N G:SER70 4.9 17.8 1.0 HG11 G:VAL121 4.9 27.1 1.0 O G:GLY120 4.9 26.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (G115A Mutant) in the Mg-K-Atp/Adp State


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 (G115A Mutant) in the Mg-K-Atp/Adp State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca202 b:29.6 occ:1.00 O G:ALA92 2.3 27.4 1.0 OD2 G:ASP85 2.4 26.4 1.0 O G:HOH340 2.4 35.5 1.0 OE1 A:GLU168 2.5 24.0 1.0 O G:GLY90 2.6 27.9 1.0 O G:HOH365 3.0 29.7 1.0 OD1 G:ASP85 3.0 23.1 1.0 CG G:ASP85 3.0 22.9 1.0 C G:GLY90 3.4 27.6 1.0 HA2 G:GLY90 3.4 29.2 1.0 CD A:GLU168 3.5 23.7 1.0 C G:ALA92 3.5 26.0 1.0 H G:ALA92 3.7 29.2 1.0 HE21 G:GLN94 3.8 23.5 1.0 CA G:GLY90 3.9 24.3 1.0 N G:ALA92 3.9 24.3 1.0 OE2 A:GLU168 3.9 23.9 1.0 HG3 G:GLN94 4.0 21.9 1.0 HA G:VAL93 4.0 31.8 1.0 HA3 G:GLY90 4.1 29.2 1.0 HB3 A:GLU168 4.3 24.1 1.0 CA G:ALA92 4.3 23.8 1.0 N G:ARG91 4.3 27.3 1.0 HB3 G:ALA92 4.4 31.1 1.0 C G:ARG91 4.4 26.6 1.0 CB G:ASP85 4.5 22.5 1.0 NE2 G:GLN94 4.5 19.6 1.0 N G:VAL93 4.6 24.8 1.0 HA G:ARG91 4.6 37.2 1.0 HB3 G:ASP85 4.7 27.0 1.0 CA G:ARG91 4.7 31.0 1.0 CG A:GLU168 4.7 20.3 1.0 CA G:VAL93 4.7 26.5 1.0 O G:HOH348 4.8 31.5 1.0 CB A:GLU168 4.8 20.1 1.0 CG G:GLN94 4.8 18.3 1.0 HB2 G:ASP85 4.9 27.0 1.0 H G:GLN94 4.9 27.1 1.0 CB G:ALA92 4.9 26.0 1.0 HB2 A:GLU168 4.9 24.1 1.0 H G:ARG91 5.0 32.7 1.0

E.P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula. Atomic View Into Plasmodium Actin Polymerization, Atp Hydrolysis, and Fragmentation. Plos Biol. V. 17 00315 2019.
ISSN: ESSN 1545-7885
PubMed: 31199804
DOI: 10.1371/JOURNAL.PBIO.3000315