Calcium in PDB 2q0r: Structure of Pectenotoxin-2 Bound to Actin

The structure of Structure of Pectenotoxin-2 Bound to Actin, PDB code: 2q0r 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 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.437, 56.856, 105.747, 90.00, 90.16, 90.00
R / Rfree (%)	16.8 / 20.4

The binding sites of Calcium atom in the Structure of Pectenotoxin-2 Bound to Actin (pdb code 2q0r). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of Pectenotoxin-2 Bound to Actin, PDB code: 2q0r:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Pectenotoxin-2 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 Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:10.9 occ:1.00 O2B A:ATP425 2.3 8.7 1.0 O3G A:ATP425 2.3 8.6 1.0 O A:HOH659 2.3 9.9 1.0 O A:HOH662 2.4 10.1 1.0 O A:HOH616 2.4 10.9 1.0 O A:HOH634 2.6 12.4 1.0 O A:HOH716 3.0 14.5 1.0 PB A:ATP425 3.5 9.1 1.0 PG A:ATP425 3.5 10.2 1.0 O3B A:ATP425 3.9 9.4 1.0 O1G A:ATP425 4.0 9.4 1.0 O3A A:ATP425 4.2 8.1 1.0 O1A A:ATP425 4.2 8.5 1.0 OE1 A:GLN137 4.3 13.3 1.0 O A:HOH802 4.3 16.4 1.0 NZ A:LYS18 4.3 10.8 1.0 CA A:GLY13 4.3 11.5 1.0 O A:HOH759 4.5 16.7 1.0 CD A:GLN137 4.5 10.5 1.0 OD1 A:ASP11 4.6 12.1 1.0 OD2 A:ASP154 4.6 12.2 1.0 OD2 A:ASP11 4.6 10.6 1.0 PA A:ATP425 4.7 9.5 1.0 O2G A:ATP425 4.8 9.6 1.0 O1B A:ATP425 4.8 9.9 1.0 OD1 A:ASP154 4.9 14.8 1.0 CG A:GLN137 4.9 9.6 1.0 NE2 A:GLN137 5.0 10.0 1.0

Calcium binding site 2 out of 4 in the Structure of Pectenotoxin-2 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 Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:8.8 occ:1.00 OE1 A:GLN263 2.4 8.8 1.0 O A:HOH624 2.4 11.2 1.0 O A:HOH640 2.4 11.2 1.0 OG A:SER265 2.5 6.6 1.0 CD A:GLN263 3.3 8.3 1.0 CB A:SER265 3.5 6.7 1.0 NE2 A:GLN263 3.6 9.3 1.0 N A:SER265 4.1 6.2 1.0 O A:SER271 4.3 12.5 1.0 CA A:SER265 4.4 6.4 1.0 O A:HOH643 4.5 8.4 1.0 O A:HOH783 4.7 17.4 1.0 O A:MET269 4.7 11.6 1.0 CG A:GLN263 4.7 7.0 1.0 O A:HOH939 4.8 28.8 1.0 O A:GLU270 4.9 14.2 1.0 CD A:PRO264 4.9 7.6 1.0 N A:PRO264 5.0 6.9 1.0

Calcium binding site 3 out of 4 in the Structure of Pectenotoxin-2 Bound to Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Pectenotoxin-2 Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:17.3 occ:1.00 O A:GLY63 2.3 22.3 1.0 O A:HOH807 2.3 29.9 1.0 C A:GLY63 3.4 22.5 1.0 CA A:GLY63 4.3 22.6 1.0 N A:ILE64 4.4 21.7 1.0 CA A:ILE64 4.5 21.2 1.0 O A:ARG62 4.8 23.3 1.0

Calcium binding site 4 out of 4 in the Structure of Pectenotoxin-2 Bound to Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Pectenotoxin-2 Bound to Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:29.3 occ:1.00 O A:SER323 2.3 20.9 1.0 O A:HOH932 2.4 31.5 1.0 O A:HOH800 2.4 28.3 1.0 O A:HOH755 2.6 15.9 1.0 C A:SER323 3.5 20.4 1.0 CA A:SER323 4.2 20.8 1.0 O A:HOH741 4.2 19.0 1.0 O A:MET325 4.4 16.2 1.0 N A:THR324 4.5 20.5 1.0 O A:HOH946 4.6 25.9 1.0 CA A:THR324 4.7 20.7 1.0 N A:MET325 4.9 17.8 1.0 C A:THR324 4.9 19.4 1.0 CB A:SER323 4.9 21.2 1.0 O A:PRO322 5.0 17.4 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