Calcium in PDB 6i4i: Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-K-Adp-Alfn State

The structure of Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-K-Adp-Alfn State, PDB code: 6i4i 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)	45.05 / 1.90
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	68.610, 71.330, 109.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.7

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

Fluorine	(F)	3 atoms
Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom
Potassium	(K)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-K-Adp-Alfn State (pdb code 6i4i). 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-K-Adp-Alfn State, PDB code: 6i4i:
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-K-Adp-Alfn 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-K-Adp-Alfn State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca201 b:26.0 occ:1.00 OD1 G:ASP42 2.3 29.4 1.0 O G:HOH353 2.3 28.9 1.0 O G:GLY41 2.3 25.2 1.0 O G:VAL121 2.4 26.5 1.0 OE2 G:GLU73 2.4 26.6 1.0 O G:HOH359 2.5 27.4 1.0 OE1 G:GLU73 2.5 25.9 1.0 CD G:GLU73 2.8 26.0 1.0 HA G:ASP42 3.2 30.3 1.0 C G:GLY41 3.4 27.7 1.0 CG G:ASP42 3.5 28.5 1.0 C G:VAL121 3.6 27.2 1.0 HG13 G:VAL121 3.8 44.4 1.0 HA3 G:GLY120 3.8 34.9 1.0 HG12 G:VAL121 3.8 44.4 1.0 H G:VAL121 3.9 33.0 1.0 HA G:CYS69 4.0 34.3 1.0 CA G:ASP42 4.0 25.2 1.0 N G:VAL121 4.0 27.5 1.0 H G:SER70 4.1 33.3 1.0 HA3 G:GLY41 4.1 30.8 1.0 N G:ASP42 4.1 26.1 1.0 CG1 G:VAL121 4.3 36.9 1.0 CG G:GLU73 4.3 25.2 1.0 O G:HOH311 4.3 25.3 1.0 CB G:ASP42 4.3 24.3 1.0 CA G:VAL121 4.4 29.4 1.0 CA G:GLY41 4.4 25.6 1.0 C G:GLY120 4.4 27.1 1.0 OD2 G:ASP42 4.4 28.3 1.0 HA G:ALA122 4.4 34.5 1.0 C G:ALA122 4.5 29.6 1.0 HA G:SER123 4.5 39.3 1.0 O G:HOH309 4.5 38.1 1.0 HB2 G:CYS69 4.5 31.3 1.0 CA G:GLY120 4.6 29.0 1.0 N G:ALA122 4.6 27.8 1.0 N G:SER123 4.6 32.6 1.0 HG3 G:GLU73 4.7 30.3 1.0 O G:ALA122 4.7 27.7 1.0 HG2 G:GLU73 4.7 30.3 1.0 HA2 G:GLY41 4.7 30.8 1.0 CA G:ALA122 4.7 28.7 1.0 H G:SER123 4.8 39.2 1.0 OG G:SER70 4.8 29.9 1.0 HB3 G:ASP42 4.8 29.2 1.0 N G:SER70 4.8 27.8 1.0 O G:HOH329 4.9 24.7 1.0 CA G:CYS69 4.9 28.6 1.0 H G:ASP42 5.0 31.4 1.0 CB G:VAL121 5.0 35.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Actin I (F54Y Mutant) in the Mg-K-Adp-Alfn 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-K-Adp-Alfn State within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca202 b:37.4 occ:1.00 O A:HOH630 2.2 39.6 1.0 O G:ALA92 2.3 35.5 1.0 OD2 G:ASP85 2.4 35.3 1.0 O G:HOH313 2.5 48.2 1.0 OE1 A:GLU168 2.6 35.4 1.0 O G:GLY90 2.7 35.3 1.0 OD1 G:ASP85 3.0 35.0 1.0 CG G:ASP85 3.0 34.0 1.0 C G:GLY90 3.5 36.5 1.0 C G:ALA92 3.5 34.9 1.0 HA2 G:GLY90 3.6 42.8 1.0 CD A:GLU168 3.7 33.2 1.0 H G:ALA92 3.7 38.0 1.0 N G:ALA92 3.9 31.6 1.0 HE21 G:GLN94 3.9 34.7 1.0 O A:HOH587 4.0 41.8 1.0 CA G:GLY90 4.1 35.6 1.0 HG3 G:GLN94 4.1 37.1 1.0 HA G:VAL93 4.1 39.8 1.0 OE2 A:GLU168 4.1 32.7 1.0 N G:ARG91 4.3 37.9 1.0 CA G:ALA92 4.3 31.4 1.0 HB3 G:ALA92 4.3 35.2 1.0 HB3 A:GLU168 4.3 28.9 1.0 HA3 G:GLY90 4.4 42.8 1.0 C G:ARG91 4.4 35.6 1.0 HA G:ARG91 4.5 46.9 1.0 CB G:ASP85 4.5 29.3 1.0 N G:VAL93 4.6 34.5 1.0 NE2 G:GLN94 4.6 28.9 1.0 CA G:ARG91 4.6 39.1 1.0 O A:HOH603 4.7 43.3 1.0 CA G:VAL93 4.8 33.1 1.0 HB3 G:ASP85 4.8 35.2 1.0 CB G:ALA92 4.9 29.4 1.0 CG A:GLU168 4.9 27.8 1.0 H G:ARG91 4.9 45.5 1.0 HB2 G:ASP85 4.9 35.2 1.0 CB A:GLU168 4.9 24.1 1.0 H G:GLN94 4.9 37.0 1.0 HB2 A:GLU168 4.9 28.9 1.0 CG G:GLN94 5.0 30.9 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