Calcium in PDB 2q0u: Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin

The structure of Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin, PDB code: 2q0u was solved by J.S.Allingham, C.O.Miles, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.683, 54.342, 105.895, 90.00, 90.27, 90.00
R / Rfree (%)	16.5 / 18.1

The binding sites of Calcium atom in the Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin (pdb code 2q0u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin, PDB code: 2q0u:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:9.8 occ:1.00 O3G A:ATP425 2.3 8.4 1.0 O1B A:ATP425 2.3 8.4 1.0 O A:HOH509 2.3 9.9 1.0 O A:HOH541 2.3 12.4 1.0 O A:HOH510 2.4 9.3 1.0 O A:HOH529 2.4 10.6 1.0 O A:HOH568 3.2 15.5 1.0 PG A:ATP425 3.5 8.4 1.0 PB A:ATP425 3.6 8.0 1.0 O3B A:ATP425 3.9 7.9 1.0 O2G A:ATP425 4.0 9.4 1.0 O A:HOH729 4.1 17.3 1.0 O3A A:ATP425 4.2 7.6 1.0 O1A A:ATP425 4.2 8.8 1.0 OE1 A:GLN137 4.2 10.5 1.0 NZ A:LYS18 4.3 10.7 1.0 O A:HOH616 4.3 17.1 1.0 CA A:GLY13 4.4 10.3 1.0 CD A:GLN137 4.5 10.4 1.0 OD2 A:ASP154 4.6 9.7 1.0 OD1 A:ASP11 4.6 10.2 1.0 OD2 A:ASP11 4.7 10.3 1.0 PA A:ATP425 4.7 8.3 1.0 O1G A:ATP425 4.8 8.7 1.0 O2B A:ATP425 4.8 8.2 1.0 OD1 A:ASP154 4.9 11.3 1.0 CG A:GLN137 4.9 11.5 1.0 CG2 A:VAL339 5.0 10.8 1.0

Calcium binding site 2 out of 2 in the Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Pectenotoxin-2 and Latrunculin B Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:7.4 occ:1.00 OE1 A:GLN263 2.3 6.8 1.0 O A:HOH545 2.4 9.3 1.0 O A:HOH730 2.4 8.6 1.0 O A:HOH515 2.4 8.3 1.0 O A:HOH540 2.4 8.0 1.0 OG A:SER265 2.5 7.3 1.0 CD A:GLN263 3.3 6.0 1.0 CB A:SER265 3.6 7.2 1.0 NE2 A:GLN263 3.6 8.5 1.0 N A:SER265 4.1 7.2 1.0 O A:SER271 4.3 8.8 1.0 O A:HOH523 4.3 13.0 1.0 CA A:SER265 4.4 7.3 1.0 CG A:GLN263 4.7 6.9 1.0 O A:MET269 4.7 10.0 1.0 O A:HOH753 4.8 23.8 1.0 O A:GLU270 4.9 11.2 1.0 CD A:PRO264 4.9 6.6 1.0 O A:HOH538 4.9 11.3 1.0 N A:PRO264 5.0 6.8 1.0

J.S.Allingham, C.O.Miles, I.Rayment. A Structural Basis For Regulation of Actin Polymerization By Pectenotoxins. J.Mol.Biol. V. 371 959 2007.
ISSN: ISSN 0022-2836
PubMed: 17599353
DOI: 10.1016/J.JMB.2007.05.056