Calcium in PDB 1nwk: Crystal Structure of Monomeric Actin in the Atp State

The structure of Crystal Structure of Monomeric Actin in the Atp State, PDB code: 1nwk was solved by P.Graceffa, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.35 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.216, 37.368, 85.027, 90.00, 108.13, 90.00
R / Rfree (%)	18.7 / 22.6

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

Calcium binding site 1 out of 4 in the Crystal Structure of Monomeric Actin in the Atp State


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 in the Atp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca382 b:24.9 occ:1.00 O A:HOH1384 2.5 23.3 1.0 O1B A:ANP1380 2.6 21.8 1.0 O A:HOH1390 2.6 24.8 1.0 O2G A:ANP1380 2.6 19.9 1.0 O A:HOH1392 2.7 26.7 1.0 O A:HOH1416 2.8 33.4 1.0 O A:HOH1391 2.8 25.6 1.0 PB A:ANP1380 3.7 22.7 1.0 PG A:ANP1380 3.7 24.3 1.0 N3B A:ANP1380 3.9 22.5 1.0 O3G A:ANP1380 4.0 22.1 1.0 OE1 A:GLN137 4.2 25.6 1.0 O A:HOH1385 4.3 23.6 1.0 O3A A:ANP1380 4.3 17.0 1.0 O1A A:ANP1380 4.3 22.3 1.0 CA A:GLY13 4.4 24.0 1.0 NZ A:LYS18 4.5 24.3 1.0 O A:HOH1400 4.5 30.0 1.0 OD1 A:ASP154 4.5 41.2 1.0 CD A:GLN137 4.6 27.0 1.0 O A:HOH1397 4.6 27.9 1.0 OD1 A:ASP11 4.6 23.6 1.0 OD2 A:ASP11 4.7 24.1 1.0 OD2 A:ASP154 4.7 40.0 1.0 PA A:ANP1380 4.8 22.1 1.0 O2B A:ANP1380 4.9 23.7 1.0 CG2 A:VAL339 5.0 21.2 1.0 NE2 A:GLN137 5.0 25.8 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Monomeric Actin in the Atp State


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 in the Atp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca383 b:46.1 occ:1.00 O A:HOH1484 2.4 40.5 1.0 O A:HOH1590 2.5 53.9 1.0 O A:GLY268 2.6 30.1 1.0 OE1 A:GLU270 2.8 41.9 1.0 OE2 A:GLU270 2.9 40.2 1.0 CD A:GLU270 3.2 42.3 1.0 C A:GLY268 3.7 31.9 1.0 O A:HOH1583 4.2 52.2 1.0 CA A:GLY268 4.4 29.1 1.0 N A:MET269 4.7 26.3 1.0 CA A:MET269 4.7 28.4 1.0 CG A:GLU270 4.7 42.2 1.0 O A:HOH1610 4.9 57.8 1.0 N A:GLU270 4.9 28.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Monomeric Actin in the Atp State


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 Monomeric Actin in the Atp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca384 b:84.7 occ:1.00 O A:HOH1635 2.3 89.0 1.0 O A:HOH1636 2.4 90.8 1.0 O A:HOH1634 2.5 87.2 1.0 OD2 A:ASP286 2.8 45.5 1.0 OD2 A:ASP288 2.8 52.3 1.0 OD1 A:ASP286 2.8 38.5 1.0 CG A:ASP286 3.1 42.1 1.0 CG A:ASP288 3.8 49.5 1.0 CB A:ASP288 4.2 44.4 1.0 CB A:ASP286 4.6 36.4 1.0 CG2 A:ILE287 4.9 41.5 1.0 N A:ASP288 4.9 37.7 1.0 OD1 A:ASP288 4.9 52.5 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Monomeric Actin in the Atp State


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Monomeric Actin in the Atp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca385 b:29.4 occ:1.00 O A:TRP356 2.5 23.8 1.0 O A:HOH1424 2.5 33.8 1.0 O A:HOH1507 2.5 42.8 1.0 O A:GLN354 2.6 28.9 1.0 OE1 A:GLU361 2.7 35.8 1.0 OE2 A:GLU361 2.7 33.2 1.0 O A:HOH1436 2.7 35.0 1.0 CD A:GLU361 3.0 39.7 1.0 C A:GLN354 3.6 27.4 1.0 C A:TRP356 3.6 27.0 1.0 C A:MET355 4.3 21.0 1.0 CA A:ILE357 4.3 25.6 1.0 CA A:GLN354 4.3 27.0 1.0 N A:TRP356 4.3 20.5 1.0 N A:ILE357 4.4 23.5 1.0 O A:MET355 4.5 23.6 1.0 O A:HOH1438 4.5 35.2 1.0 CG A:GLU361 4.5 34.7 1.0 N A:MET355 4.5 25.6 1.0 N A:THR358 4.6 27.7 1.0 OE1 A:GLN354 4.6 35.1 1.0 CA A:TRP356 4.6 21.4 1.0 CA A:MET355 4.7 23.9 1.0 CG2 A:THR358 4.7 24.2 1.0 O A:HOH1575 4.9 51.4 1.0 CB A:GLN354 4.9 33.6 1.0 C A:ILE357 5.0 26.6 1.0

P.Graceffa, R.Dominguez. Crystal Structure of Monomeric Actin in the Atp State. Structural Basis of Nucleotide-Dependent Actin Dynamics. J.Biol.Chem. V. 278 34172 2003.
ISSN: ISSN 0021-9258
PubMed: 12813032
DOI: 10.1074/JBC.M303689200