Calcium in PDB 1t44: Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation

The structure of Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation, PDB code: 1t44 was solved by E.Irobi, A.H.Aguda, M.Larsson, L.D.Burtnick, R.C.Robinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.850, 69.335, 80.233, 90.00, 94.93, 90.00
R / Rfree (%)	14.4 / 19.5

The binding sites of Calcium atom in the Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation (pdb code 1t44). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation, PDB code: 1t44:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca701 b:19.7 occ:1.00 O G:ALA116 2.3 10.7 1.0 OE1 A:GLU167 2.3 8.9 1.0 OD2 G:ASP109 2.4 9.0 1.0 O G:HOH712 2.4 13.8 1.0 O G:HOH729 2.4 15.9 1.0 O G:GLY114 2.4 11.5 1.0 O G:HOH724 2.6 21.2 1.0 OD1 G:ASP109 2.7 10.0 1.0 CG G:ASP109 3.0 9.2 1.0 C G:GLY114 3.4 10.8 1.0 CD A:GLU167 3.5 9.8 1.0 C G:ALA116 3.5 10.6 1.0 N G:ALA116 3.9 10.5 1.0 OE2 A:GLU167 4.0 8.3 1.0 CA G:GLY114 4.0 10.2 1.0 CA G:ALA116 4.2 10.2 1.0 N G:ARG115 4.3 11.3 1.0 C G:ARG115 4.4 10.9 1.0 O A:HOH934 4.4 14.9 1.0 CB G:ASP109 4.5 8.4 1.0 N G:VAL117 4.5 10.5 1.0 O G:HOH756 4.6 16.7 1.0 O A:HOH975 4.7 15.1 1.0 CG A:GLU167 4.7 8.6 1.0 CA G:ARG115 4.7 12.3 1.0 O G:HOH798 4.7 21.7 1.0 O G:HOH777 4.7 39.8 1.0 OE1 G:GLN118 4.8 11.4 1.0 CB A:GLU167 4.8 8.6 1.0 CA G:VAL117 4.8 11.0 1.0 CB G:ALA116 4.8 10.1 1.0 O G:ARG115 4.9 10.6 1.0

Calcium binding site 2 out of 3 in the Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca702 b:19.9 occ:1.00 O G:HOH704 2.3 7.7 1.0 O G:HOH730 2.3 12.5 1.0 O G:GLY65 2.3 10.9 1.0 O G:VAL145 2.3 14.7 1.0 OD2 G:ASP66 2.3 12.0 1.0 OE2 G:GLU97 2.5 12.3 1.0 OE1 G:GLU97 2.5 10.1 1.0 CD G:GLU97 2.9 10.8 1.0 C G:GLY65 3.4 11.0 1.0 C G:VAL145 3.5 14.7 1.0 CG G:ASP66 3.6 13.0 1.0 N G:VAL145 4.0 14.9 1.0 CA G:ASP66 4.0 11.0 1.0 N G:ASP66 4.1 11.3 1.0 CG1 G:VAL145 4.3 15.9 1.0 CA G:VAL145 4.3 15.2 1.0 CA G:GLY65 4.4 10.4 1.0 CG G:GLU97 4.4 9.3 1.0 CB G:ASP66 4.4 11.0 1.0 OD1 G:ASP66 4.4 13.3 1.0 O G:HOH703 4.4 9.5 1.0 O G:HOH759 4.4 20.9 1.0 C G:GLY144 4.5 15.6 1.0 OG G:SER94 4.6 12.2 1.0 N G:ALA146 4.6 14.3 1.0 O G:HOH776 4.7 23.6 1.0 C G:ALA146 4.7 13.1 1.0 CA G:GLY144 4.7 15.3 1.0 CA G:ALA146 4.8 13.5 1.0 N G:SER94 4.8 9.9 1.0 CA G:CYS93 4.8 10.0 1.0 N G:SER147 4.8 11.9 1.0 O G:ALA146 4.9 11.8 1.0 CB G:VAL145 5.0 15.6 1.0 O G:HOH721 5.0 15.2 1.0

Calcium binding site 3 out of 3 in the Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Basis of Actin Sequestration By Thymosin-B4: Implications For ARP2/3 Activation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca700 b:21.9 occ:1.00 O2B A:ATP900 2.3 19.4 1.0 O A:HOH918 2.4 12.7 1.0 O A:HOH909 2.4 13.4 1.0 O A:HOH970 2.4 14.0 1.0 O3G A:ATP900 2.4 20.8 1.0 O A:HOH911 2.4 14.0 1.0 O A:HOH915 2.8 15.9 1.0 PG A:ATP900 3.5 21.5 1.0 PB A:ATP900 3.6 19.5 1.0 O3B A:ATP900 3.9 21.4 1.0 O1G A:ATP900 3.9 20.5 1.0 O A:HOH992 4.1 19.2 1.0 O3A A:ATP900 4.2 22.4 1.0 OE1 A:GLN137 4.3 12.9 1.0 O A:HOH999 4.3 20.4 1.0 NZ A:LYS18 4.3 9.5 1.0 O1A A:ATP900 4.4 21.6 1.0 O A:HOH1151 4.4 44.9 1.0 CA A:GLY13 4.4 12.0 1.0 CD A:GLN137 4.5 11.5 1.0 OD1 A:ASP154 4.6 18.8 1.0 O A:HOH1129 4.6 29.6 1.0 OD2 A:ASP11 4.6 14.2 1.0 O1B A:ATP900 4.7 18.0 1.0 OD1 A:ASP11 4.8 13.4 1.0 PA A:ATP900 4.8 21.4 1.0 O2G A:ATP900 4.9 22.3 1.0 NE2 A:GLN137 4.9 9.6 1.0

E.Irobi, A.H.Aguda, M.Larsson, C.Guerin, H.L.Yin, L.D.Burtnick, L.Blanchoin, R.C.Robinson. Structural Basis of Actin Sequestration By Thymosin-BETA4: Implications For WH2 Proteins. Embo J. V. 23 3599 2004.
ISSN: ISSN 0261-4189
PubMed: 15329672
DOI: 10.1038/SJ.EMBOJ.7600372