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

The structure of Crystal Structure of Monomeric Actin Bound to Cytochalasin D, PDB code: 3eku 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)	15.00 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	207.400, 54.040, 36.890, 90.00, 98.96, 90.00
R / Rfree (%)	17.7 / 22.8

The binding sites of Calcium atom in the Crystal Structure of Monomeric Actin Bound to Cytochalasin D (pdb code 3eku). 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: 3eku:
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:18.6 occ:1.00 O2G A:ATP800 2.3 22.9 1.0 O A:HOH918 2.3 13.6 1.0 O1B A:ATP800 2.3 18.5 1.0 O A:HOH954 2.4 20.2 1.0 O A:HOH972 2.5 22.1 1.0 O A:HOH1002 2.5 16.3 1.0 O A:HOH949 2.8 20.3 1.0 PB A:ATP800 3.6 19.1 1.0 PG A:ATP800 3.7 23.9 1.0 O3A A:ATP800 4.1 18.7 1.0 O3B A:ATP800 4.1 22.6 1.0 O3G A:ATP800 4.1 23.6 1.0 NE2 A:GLN137 4.2 23.0 1.0 O1A A:ATP800 4.2 19.7 1.0 O A:HOH982 4.3 24.7 1.0 CA A:GLY13 4.4 25.2 1.0 CD A:GLN137 4.4 22.5 1.0 NZ A:LYS18 4.4 26.4 1.0 O A:HOH1038 4.6 23.3 1.0 OD1 A:ASP154 4.6 18.6 1.0 OD1 A:ASP11 4.6 22.4 1.0 OE1 A:GLN137 4.6 24.7 1.0 PA A:ATP800 4.7 17.5 1.0 OD2 A:ASP11 4.7 17.9 1.0 O A:HOH1103 4.8 34.3 1.0 O1G A:ATP800 4.8 24.1 1.0 O A:ASN12 4.9 22.8 1.0 O2B A:ATP800 4.9 17.2 1.0 OD2 A:ASP154 4.9 23.9 1.0 CG A:GLN137 5.0 22.0 1.0 CG2 A:VAL339 5.0 16.7 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:38.7 occ:1.00 O A:HOH945 2.4 17.6 1.0 OG A:SER265 2.4 11.2 1.0 NE2 A:GLN263 2.5 23.4 1.0 O A:HOH1147 3.0 38.9 1.0 CD A:GLN263 3.6 24.4 1.0 CB A:SER265 3.6 13.2 1.0 OE1 A:GLN263 4.0 26.9 1.0 O A:HOH909 4.2 38.2 1.0 N A:SER265 4.4 16.4 1.0 CA A:SER265 4.6 14.3 1.0 O A:HOH1136 4.6 45.9 1.0 O A:MET269 4.7 28.6 1.0 O A:ALA271 4.8 28.0 1.0 OE1 A:GLU270 4.8 46.0 1.0 O A:GLU270 4.9 31.5 1.0 CG A:GLN263 4.9 22.3 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