Calcium in PDB 4cbu: Crystal Structure of Plasmodium Falciparum Actin I

The structure of Crystal Structure of Plasmodium Falciparum Actin I, PDB code: 4cbu was solved by J.Vahokoski, S.P.Bhargav, A.Desfosses, M.Andreadaki, E.P.Kumpula, A.Ignatev, S.Munico Martinez, S.Lepper, F.Frischknecht, I.Siden-Kiamos, C.Sachse, I.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.150 / 1.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.980, 110.300, 71.480, 90.00, 90.00, 90.00
R / Rfree (%)	12.05 / 15.34

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Actin I (pdb code 4cbu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Plasmodium Falciparum Actin I, PDB code: 4cbu:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Plasmodium Falciparum Actin I


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1370 b:9.1 occ:1.00 O2B A:ATP1369 2.3 8.3 1.0 O2G A:ATP1369 2.4 8.3 1.0 O A:HOH2005 2.4 9.2 1.0 O A:HOH2027 2.4 9.8 1.0 O A:HOH2025 2.4 10.8 1.0 O A:HOH2016 2.5 12.0 1.0 O A:HOH2010 2.7 11.0 1.0 PG A:ATP1369 3.5 8.3 1.0 HZ2 A:LYS19 3.6 13.7 1.0 PB A:ATP1369 3.6 8.1 1.0 HA2 A:GLY14 3.9 11.7 1.0 O3B A:ATP1369 3.9 8.2 1.0 HA3 A:GLY14 3.9 11.7 1.0 O3G A:ATP1369 3.9 8.8 1.0 O A:HOH2020 4.2 11.3 1.0 O3A A:ATP1369 4.2 8.2 1.0 OE1 A:GLN138 4.3 8.8 1.0 O A:HOH2256 4.4 24.7 1.0 HA3 A:GLY157 4.4 10.2 1.0 CA A:GLY14 4.4 9.7 1.0 O1A A:ATP1369 4.4 10.9 1.0 NZ A:LYS19 4.4 11.4 1.0 HG22 A:VAL340 4.5 11.9 1.0 O A:HOH2085 4.5 19.5 1.0 OD2 A:ASP155 4.6 9.7 0.4 CD A:GLN138 4.6 7.8 1.0 OD1 A:ASP155 4.6 11.0 0.4 HZ3 A:LYS19 4.7 13.7 1.0 OD2 A:ASP155 4.7 11.8 0.6 OD1 A:ASP12 4.7 8.2 1.0 OD2 A:ASP12 4.7 8.4 1.0 HG2 A:GLN138 4.7 8.9 1.0 H A:SER15 4.8 10.0 1.0 O A:HOH2039 4.8 14.2 1.0 PA A:ATP1369 4.8 10.0 1.0 O1G A:ATP1369 4.8 8.9 1.0 O1B A:ATP1369 4.8 9.1 1.0 HZ1 A:LYS19 4.9 13.7 1.0 O A:ASN13 4.9 13.9 0.7 HB3 A:GLN138 4.9 8.2 1.0 OD1 A:ASP155 4.9 11.8 0.6 NE2 A:GLN138 5.0 8.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Plasmodium Falciparum Actin I


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 within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca1150 b:7.9 occ:1.00 OD1 G:ASP66 2.3 8.7 1.0 O G:VAL145 2.4 8.8 1.0 O G:GLY65 2.4 7.8 1.0 O G:HOH2013 2.4 11.5 1.0 O G:HOH2007 2.4 10.2 1.0 OE2 G:GLU97 2.4 8.3 1.0 OE1 G:GLU97 2.5 8.1 1.0 CD G:GLU97 2.8 7.9 1.0 HA G:ASP66 3.3 8.8 1.0 C G:GLY65 3.4 7.3 1.0 CG G:ASP66 3.5 7.5 1.0 C G:VAL145 3.6 8.8 1.0 HG11 G:VAL145 3.7 12.0 1.0 HG13 G:VAL145 3.7 12.0 1.0 HA3 G:GLY144 3.9 12.2 1.0 H G:VAL145 3.9 11.1 1.0 HA G:CYS93 3.9 9.2 1.0 HG G:SER94 3.9 12.8 1.0 N G:VAL145 4.0 9.2 1.0 CA G:ASP66 4.0 7.3 1.0 H G:SER94 4.1 10.2 1.0 N G:ASP66 4.1 7.2 1.0 CG1 G:VAL145 4.1 10.0 1.0 HA3 G:GLY65 4.2 10.2 1.0 O G:HOH2003 4.2 8.4 1.0 CA G:VAL145 4.3 9.8 1.0 C G:GLY144 4.3 10.0 1.0 CB G:ASP66 4.4 7.0 1.0 CG G:GLU97 4.4 7.4 1.0 CA G:GLY65 4.4 8.5 1.0 OD2 G:ASP66 4.4 8.7 1.0 HA G:SER147 4.4 10.8 0.3 O G:HOH2663 4.4 18.3 0.7 HA G:SER147 4.5 11.5 0.7 C G:ALA146 4.5 8.9 1.0 N G:SER147 4.5 8.8 0.3 N G:SER147 4.5 8.7 0.7 CA G:GLY144 4.6 10.1 1.0 H G:SER147 4.6 10.6 0.3 N G:ALA146 4.6 9.6 1.0 HB2 G:CYS93 4.6 9.1 1.0 H G:SER147 4.6 10.5 0.7 HA G:ALA146 4.7 11.6 1.0 O G:HOH2133 4.7 25.5 1.0 HG3 G:GLU97 4.7 8.9 1.0 OG G:SER94 4.7 10.6 1.0 HG2 G:GLU97 4.7 8.9 1.0 HA2 G:GLY65 4.8 10.2 1.0 O G:HOH2427 4.8 23.9 1.0 O G:ALA146 4.8 9.7 1.0 HB3 G:ASP66 4.8 8.3 1.0 O G:HOH2663 4.8 13.2 0.3 CA G:CYS93 4.8 7.6 1.0 CA G:ALA146 4.9 9.7 1.0 N G:SER94 4.9 8.5 1.0 CB G:VAL145 4.9 10.4 1.0 O G:HOH2001 4.9 9.2 1.0 HG12 G:VAL145 4.9 12.0 1.0 CA G:SER147 5.0 9.0 0.3 HA2 G:GLY144 5.0 12.2 1.0 O G:GLY144 5.0 11.6 1.0 H G:ASP66 5.0 8.7 1.0 HB3 G:SER147 5.0 12.6 0.3

Calcium binding site 3 out of 3 in the Crystal Structure of Plasmodium Falciparum Actin I


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Plasmodium Falciparum Actin I within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca1151 b:10.9 occ:1.00 O G:ALA116 2.3 11.3 1.0 OE1 A:GLU168 2.4 11.5 1.0 OD2 G:ASP109 2.4 11.4 1.0 O A:HOH2102 2.4 19.1 1.0 O G:GLY114 2.4 13.4 1.0 O A:HOH2069 2.4 19.4 1.0 OD1 G:ASP109 2.7 10.8 1.0 CG G:ASP109 2.9 10.2 1.0 C G:GLY114 3.3 12.6 1.0 CD A:GLU168 3.5 10.1 1.0 C G:ALA116 3.5 10.3 1.0 HA2 G:GLY114 3.5 16.7 1.0 H G:ALA116 3.8 13.8 1.0 N G:ALA116 3.9 11.5 1.0 O A:HOH2583 3.9 31.3 1.0 CA G:GLY114 3.9 13.9 1.0 HE21 G:GLN118 4.0 11.0 1.0 OE2 A:GLU168 4.0 11.5 1.0 HB3 A:GLU168 4.1 10.6 1.0 HA G:VAL117 4.1 12.7 1.0 HG3 G:GLN118 4.2 9.8 1.0 HA3 G:GLY114 4.2 16.7 1.0 N G:ARG115 4.2 14.6 0.5 N G:ARG115 4.2 12.8 0.6 HB1 G:ALA116 4.2 15.6 1.0 CA G:ALA116 4.2 11.0 1.0 O A:HOH2062 4.3 16.2 1.0 C G:ARG115 4.3 11.6 0.6 C G:ARG115 4.3 14.3 0.5 CB G:ASP109 4.4 9.7 1.0 HA G:ARG115 4.4 19.4 0.5 O A:HOH2601 4.4 8.3 0.2 O G:HOH2697 4.5 38.2 1.0 O A:HOH2601 4.6 17.5 0.8 N G:VAL117 4.6 11.7 1.0 CA G:ARG115 4.6 16.1 0.5 HA G:ARG115 4.6 15.0 0.6 CA G:ARG115 4.6 12.5 0.6 HB3 G:ASP109 4.7 11.7 1.0 CG A:GLU168 4.7 9.5 1.0 NE2 G:GLN118 4.7 9.1 1.0 CB A:GLU168 4.7 8.8 1.0 HB2 A:GLU168 4.7 10.6 1.0 O G:HOH2726 4.8 45.2 1.0 HB2 G:ASP109 4.8 11.7 1.0 CB G:ALA116 4.8 13.0 1.0 CA G:VAL117 4.8 10.6 1.0 O G:ARG115 4.9 13.1 0.6 H G:GLN118 4.9 11.2 1.0 H G:ARG115 4.9 15.4 0.6 H G:ARG115 4.9 17.4 0.5

J.Vahokoski, S.P.Bhargav, A.Desfosses, M.Andreadaki, E.Kumpula, S.M.Martinez, A.Ignatev, S.Lepper, F.Frischknecht, I.Siden-Kiamos, C.Sachse, I.Kursula. Structural Differences Explain Diverse Functions of Plasmodium Actins. Plos Pathog. V. 10 4091 2014.
ISSN: ISSN 1553-7366
PubMed: 24743229
DOI: 10.1371/JOURNAL.PPAT.1004091