Calcium in PDB 1j6z: Uncomplexed Actin

The structure of Uncomplexed Actin, PDB code: 1j6z was solved by L.R.Otterbein, P.Graceffa, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.00 / 1.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.808, 37.498, 85.261, 90.00, 108.26, 90.00
R / Rfree (%)	17.9 / 22.3

The binding sites of Calcium atom in the Uncomplexed Actin (pdb code 1j6z). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Uncomplexed Actin, PDB code: 1j6z:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca382 b:12.4 occ:1.00 O A:HOH1390 2.4 14.6 1.0 O A:HOH1385 2.4 13.7 1.0 O A:HOH1398 2.4 16.8 1.0 O1B A:ADP1380 2.4 11.2 1.0 O A:HOH1387 2.4 14.1 1.0 O A:HOH1388 2.5 14.3 1.0 O A:HOH1392 2.9 15.5 1.0 PB A:ADP1380 3.6 10.8 1.0 O3B A:ADP1380 3.8 10.0 1.0 OE1 A:GLN137 4.2 11.7 1.0 CA A:GLY13 4.2 10.2 1.0 O3A A:ADP1380 4.4 10.8 1.0 O A:HOH1395 4.4 16.0 1.0 OD1 A:ASP154 4.4 16.9 1.0 O1A A:ADP1380 4.4 11.6 1.0 NZ A:LYS18 4.4 11.9 1.0 OD2 A:ASP154 4.5 18.4 1.0 CD A:GLN137 4.5 10.7 1.0 O A:HOH1389 4.6 14.6 1.0 OD1 A:ASP11 4.6 11.6 1.0 O2B A:ADP1380 4.7 12.6 1.0 OD2 A:ASP11 4.7 11.9 1.0 O A:HOH1408 4.8 18.7 1.0 N A:SER14 4.8 11.4 1.0 CG A:ASP154 4.9 16.3 1.0 PA A:ADP1380 4.9 11.2 1.0 CG2 A:VAL339 4.9 13.5 1.0 NE2 A:GLN137 5.0 10.8 1.0

Calcium binding site 2 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca383 b:27.7 occ:1.00 O A:HOH1530 2.5 30.6 1.0 O A:HOH1504 2.5 28.4 1.0 OE2 A:GLU205 2.7 22.2 1.0 O A:HOH1664 2.9 40.2 1.0 O A:HOH1551 3.0 32.3 1.0 CD A:GLU205 3.6 19.7 1.0 OE1 A:GLU205 3.7 16.1 1.0 O A:SER199 4.2 17.1 1.0 O A:HOH1717 4.2 45.5 1.0 O A:HOH1513 4.4 29.1 1.0 O A:HOH1473 4.6 26.4 1.0 OG A:SER199 4.8 23.3 1.0 CB A:SER199 4.9 20.6 1.0 CG A:GLU205 4.9 17.3 1.0

Calcium binding site 3 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca384 b:18.3 occ:1.00 O A:TRP356 2.6 15.7 1.0 O A:GLN354 2.6 20.0 1.0 O A:HOH1528 2.7 30.6 1.0 O A:HOH1476 2.7 26.6 1.0 OE2 A:GLU361 2.8 23.8 1.0 OE1 A:GLU361 2.8 27.6 1.0 O A:HOH1520 2.9 29.7 1.0 CD A:GLU361 3.1 25.7 1.0 C A:GLN354 3.7 18.8 1.0 C A:TRP356 3.8 13.2 1.0 CA A:GLN354 4.3 17.7 1.0 C A:MET355 4.4 15.0 1.0 CA A:ILE357 4.4 14.2 1.0 N A:TRP356 4.4 14.2 1.0 O A:HOH1545 4.5 31.8 1.0 N A:ILE357 4.5 13.3 1.0 OE1 A:GLN354 4.6 24.5 1.0 O A:MET355 4.6 16.2 1.0 N A:MET355 4.6 16.1 1.0 CG A:GLU361 4.6 22.6 1.0 O A:HOH1422 4.7 21.1 1.0 N A:THR358 4.7 15.5 1.0 CA A:TRP356 4.7 14.3 1.0 CA A:MET355 4.7 16.7 1.0 O A:HOH1725 4.8 46.6 1.0 CG2 A:THR358 4.8 16.6 1.0 CB A:GLN354 4.8 20.1 1.0

Calcium binding site 4 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca385 b:27.5 occ:1.00 O A:HOH1486 2.5 27.1 1.0 O A:HOH1744 2.7 48.5 1.0 O A:HOH1775 2.8 54.8 1.0 OE1 A:GLU224 2.8 29.0 1.0 OD1 A:ASP222 2.9 25.2 1.0 OD2 A:ASP222 2.9 24.3 1.0 CG A:ASP222 3.2 23.9 1.0 CD A:GLU224 3.6 26.5 1.0 CB A:GLU224 3.8 18.9 1.0 CG A:GLU224 4.0 23.0 1.0 N A:GLU224 4.3 15.4 1.0 OE2 A:GLU224 4.5 29.9 1.0 CA A:GLU224 4.6 15.4 1.0 O A:HOH1678 4.7 41.7 1.0 O A:HOH1500 4.7 28.2 1.0 CB A:ASP222 4.7 21.5 1.0 OD1 A:ASN225 4.7 18.6 1.0 N A:ASN225 4.9 12.6 1.0

Calcium binding site 5 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca386 b:35.5 occ:1.00 O A:HOH1774 2.2 54.8 1.0 O A:HOH1773 2.6 54.8 1.0 O A:VAL30 2.7 16.5 1.0 O A:HOH1745 2.8 48.5 1.0 O A:HOH1480 2.8 26.9 1.0 C A:VAL30 3.9 13.4 1.0 N A:VAL30 4.4 11.5 1.0 OD2 A:ASP56 4.4 31.1 1.0 CA A:PHE31 4.6 11.3 1.0 CB A:PHE31 4.6 12.4 1.0 CA A:VAL30 4.6 11.9 1.0 N A:PHE31 4.7 12.1 1.0 OE1 A:GLU93 4.8 24.3 1.0 O A:HOH1434 5.0 22.2 1.0 CB A:VAL30 5.0 12.8 1.0

Calcium binding site 6 out of 6 in the Uncomplexed Actin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Uncomplexed Actin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca387 b:80.1 occ:1.00 O A:HOH1760 1.8 51.4 1.0 O A:GLY268 2.5 20.0 1.0 OE2 A:GLU270 3.3 35.1 1.0 OE1 A:GLU270 3.6 36.1 1.0 C A:GLY268 3.7 18.6 1.0 CD A:GLU270 3.9 33.4 1.0 CA A:GLY268 4.4 16.5 1.0 O A:HOH1606 4.6 36.4 1.0 O A:HOH1548 4.6 32.1 1.0 N A:MET269 4.7 17.2 1.0 CA A:MET269 4.8 18.5 1.0

L.R.Otterbein, P.Graceffa, R.Dominguez. The Crystal Structure of Uncomplexed Actin in the Adp State. Science V. 293 708 2001.
ISSN: ISSN 0036-8075
PubMed: 11474115
DOI: 10.1126/SCIENCE.1059700