Calcium in PDB 3eks: Crystal Structure of Monomeric Actin Bound to Cytochalasin D

The structure of Crystal Structure of Monomeric Actin Bound to Cytochalasin D, PDB code: 3eks was solved by U.B.Nair, P.B.Joel, Q.Wan, S.Lowey, M.A.Rould, K.M.Trybus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	195.207, 54.634, 38.569, 90.00, 90.65, 90.00
R / Rfree (%)	23.7 / 28.4

The binding sites of Calcium atom in the Crystal Structure of Monomeric Actin Bound to Cytochalasin D (pdb code 3eks). 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 Monomeric Actin Bound to Cytochalasin D, PDB code: 3eks:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Monomeric Actin Bound to Cytochalasin D


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 Monomeric Actin Bound to Cytochalasin D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca901 b:22.9 occ:1.00 O A:HOH969 2.2 25.3 1.0 O2G A:ATP800 2.2 26.0 1.0 O A:HOH1072 2.2 20.9 1.0 O1B A:ATP800 2.3 21.4 1.0 O A:HOH1073 2.4 29.0 1.0 O A:HOH936 2.5 32.2 1.0 O A:HOH979 3.0 26.8 1.0 PG A:ATP800 3.6 25.2 1.0 PB A:ATP800 3.6 20.8 1.0 O3G A:ATP800 4.0 27.0 1.0 O3B A:ATP800 4.0 23.0 1.0 O A:HOH978 4.1 25.8 1.0 O3A A:ATP800 4.2 21.8 1.0 O A:HOH1100 4.2 38.3 1.0 O A:HOH953 4.3 33.2 1.0 O1A A:ATP800 4.3 21.3 1.0 NE2 A:GLN137 4.3 29.7 1.0 CA A:GLY13 4.4 23.2 1.0 NZ A:LYS18 4.5 28.4 1.0 CD A:GLN137 4.6 24.9 1.0 OD1 A:ASP11 4.6 27.6 1.0 OD2 A:ASP11 4.7 29.6 1.0 O1G A:ATP800 4.8 27.1 1.0 OD1 A:ASP154 4.8 32.3 1.0 PA A:ATP800 4.8 21.7 1.0 O2B A:ATP800 4.8 19.2 1.0 O A:ASN12 4.9 26.7 1.0 OD2 A:ASP154 4.9 37.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Monomeric Actin Bound to Cytochalasin D


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 Monomeric Actin Bound to Cytochalasin D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca902 b:45.6 occ:1.00 O A:HOH1074 2.0 47.0 1.0 OG A:SER265 2.3 28.2 1.0 NE2 A:GLN263 2.5 28.0 1.0 O A:HOH911 2.6 30.5 1.0 O A:HOH1075 3.0 54.1 1.0 CD A:GLN263 3.4 28.0 1.0 CB A:SER265 3.5 28.1 1.0 OE1 A:GLN263 3.6 30.7 1.0 O A:HOH1013 3.9 43.5 1.0 N A:SER265 4.0 25.8 1.0 CA A:SER265 4.3 28.3 1.0 O A:ALA271 4.4 37.1 1.0 O A:HOH1165 4.5 48.6 1.0 O A:MET269 4.5 42.1 1.0 O A:HOH975 4.7 32.6 1.0 CG A:GLN263 4.8 27.8 1.0 O A:GLU270 4.8 40.3 1.0 CD A:PRO264 4.9 22.2 1.0 N A:PRO264 4.9 24.3 1.0 OE2 A:GLU270 5.0 52.8 1.0

U.B.Nair, P.B.Joel, Q.Wan, S.Lowey, M.A.Rould, K.M.Trybus. Crystal Structures of Monomeric Actin Bound to Cytochalasin D. J.Mol.Biol. V. 384 848 2008.
ISSN: ISSN 0022-2836
PubMed: 18938176
DOI: 10.1016/J.JMB.2008.09.082