Calcium in PDB 6i4j: Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-Adp State

The structure of Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-Adp State, PDB code: 6i4j 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)	45.07 / 1.50
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	68.560, 71.350, 109.670, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.8

The structure of Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-Adp State also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-Adp State (pdb code 6i4j). 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 (F54Y Mutant) in the Mg-Adp State, PDB code: 6i4j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-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 (F54Y Mutant) in the Mg-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca201 b:18.6 occ:1.00 O G:GLY41 2.3 20.5 1.0 O G:VAL121 2.4 20.4 1.0 OE2 G:GLU73 2.4 17.7 1.0 OD1 G:ASP42 2.4 20.6 1.0 O G:HOH376 2.4 19.9 1.0 O G:HOH392 2.5 20.3 1.0 OE1 G:GLU73 2.5 18.4 1.0 CD G:GLU73 2.8 16.2 1.0 HA G:ASP42 3.3 18.5 1.0 C G:GLY41 3.4 19.1 1.0 C G:VAL121 3.6 19.8 1.0 CG G:ASP42 3.6 21.6 1.0 HG12 G:VAL121 3.8 24.8 1.0 HG13 G:VAL121 3.8 24.8 1.0 HA3 G:GLY120 3.9 24.0 1.0 HA G:CYS69 3.9 20.8 1.0 H G:VAL121 3.9 23.8 1.0 N G:VAL121 4.0 19.8 1.0 CA G:ASP42 4.0 15.4 1.0 H G:SER70 4.0 22.5 1.0 HA3 G:GLY41 4.1 20.0 1.0 N G:ASP42 4.1 15.7 1.0 O G:HOH331 4.2 18.9 1.0 CG1 G:VAL121 4.2 20.6 1.0 CA G:GLY41 4.3 16.7 1.0 CG G:GLU73 4.3 15.4 1.0 CA G:VAL121 4.3 19.5 1.0 CB G:ASP42 4.4 15.8 1.0 C G:GLY120 4.4 22.6 1.0 HA G:ALA122 4.4 26.5 1.0 O G:HOH369 4.5 25.9 1.0 C G:ALA122 4.5 16.7 1.0 OD2 G:ASP42 4.5 19.6 1.0 HB2 G:CYS69 4.5 21.0 1.0 N G:SER123 4.5 21.5 1.0 HA G:SER123 4.6 20.9 1.0 N G:ALA122 4.6 20.3 1.0 OG G:SER70 4.6 22.9 1.0 H G:SER123 4.6 25.8 1.0 HA2 G:GLY41 4.6 20.0 1.0 CA G:GLY120 4.6 20.0 1.0 HG3 G:GLU73 4.7 18.4 1.0 HG2 G:GLU73 4.7 18.4 1.0 O G:HOH423 4.7 36.2 1.0 CA G:ALA122 4.7 22.1 1.0 O G:HOH384 4.8 29.6 1.0 N G:SER70 4.8 18.8 1.0 CA G:CYS69 4.8 17.3 1.0 HB3 G:ASP42 4.8 19.0 1.0 O G:ALA122 4.8 19.5 1.0 CB G:VAL121 4.9 22.4 1.0 H G:ASP42 4.9 18.9 1.0 O G:HOH345 5.0 18.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-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 (F54Y Mutant) in the Mg-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca202 b:26.1 occ:0.80 O G:HOH360 2.2 39.5 1.0 OD2 G:ASP85 2.3 29.9 1.0 O G:ALA92 2.4 32.1 1.0 O G:HOH370 2.4 38.2 1.0 OE1 A:GLU168 2.5 28.1 1.0 O G:GLY90 2.5 28.9 1.0 OD1 G:ASP85 2.9 26.0 1.0 CG G:ASP85 3.0 24.2 1.0 C G:GLY90 3.4 26.7 1.0 HA2 G:GLY90 3.5 29.9 1.0 C G:ALA92 3.6 32.4 1.0 CD A:GLU168 3.6 21.6 1.0 H G:ALA92 3.7 31.0 1.0 O A:HOH759 3.8 40.5 1.0 N G:ALA92 3.9 25.9 1.0 HE21 G:GLN94 3.9 23.6 1.0 CA G:GLY90 4.0 24.9 1.0 HA G:VAL93 4.1 32.4 1.0 HG3 G:GLN94 4.1 25.1 1.0 OE2 A:GLU168 4.1 26.3 1.0 HB3 A:GLU168 4.2 21.8 1.0 HA3 G:GLY90 4.2 29.9 1.0 O A:HOH638 4.3 33.5 1.0 N G:ARG91 4.3 16.1 0.5 CA G:ALA92 4.3 23.5 1.0 N G:ARG91 4.3 59.9 0.5 C G:ARG91 4.4 35.5 0.5 HB3 G:ALA92 4.4 34.5 1.0 CB G:ASP85 4.5 20.9 1.0 C G:ARG91 4.5 20.2 0.5 N G:VAL93 4.6 24.6 1.0 O A:HOH680 4.6 40.4 1.0 NE2 G:GLN94 4.6 19.7 1.0 HA G:ARG91 4.6 36.3 0.5 HB3 G:ASP85 4.7 25.1 1.0 HA G:ARG91 4.7 38.1 0.5 CA G:ARG91 4.7 30.3 0.5 CA G:ARG91 4.7 31.7 0.5 CA G:VAL93 4.8 27.0 1.0 CG A:GLU168 4.8 20.6 1.0 HB2 G:ASP85 4.8 25.1 1.0 HH A:TYR170 4.8 88.5 0.4 CB A:GLU168 4.9 18.1 1.0 H G:GLN94 4.9 27.7 1.0 CB G:ALA92 4.9 28.8 1.0 H G:ARG91 4.9 19.3 0.5 HB2 A:GLU168 4.9 21.8 1.0 O G:ARG91 5.0 20.6 0.5 H G:ARG91 5.0 71.8 0.5

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