Calcium in PDB 7pc3: The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1

The structure of The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1, PDB code: 7pc3 was solved by A.Cousido-Siah, G.Trave, G.Gogl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.55 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.67, 61.32, 143.05, 90, 90, 90
R / Rfree (%)	17.1 / 20.1

The binding sites of Calcium atom in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1 (pdb code 7pc3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1, PDB code: 7pc3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca801 b:102.1 occ:1.00 O A:VAL437 2.5 39.3 1.0 O A:GLY436 3.2 49.5 1.0 CG A:GLU439 3.5 41.8 1.0 C A:VAL437 3.7 38.6 1.0 CD A:GLU439 3.8 45.8 1.0 N A:GLU439 3.8 33.6 1.0 CB A:GLU439 4.0 35.9 1.0 OE2 A:GLU439 4.1 46.8 1.0 C A:GLY436 4.3 49.7 1.0 OE1 A:GLU439 4.4 47.8 1.0 CA A:GLU439 4.6 34.3 1.0 CA A:VAL437 4.6 41.6 1.0 CB A:VAL437 4.6 37.0 1.0 N A:ASP438 4.6 35.5 1.0 CA A:ASP438 4.7 35.5 1.0 C A:ASP438 4.8 34.6 1.0 N A:VAL437 4.8 47.9 1.0 O A:HOH902 4.8 42.9 1.0 CG1 A:VAL437 5.0 36.1 1.0

Calcium binding site 2 out of 4 in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:87.2 occ:1.00 OE1 A:GLU482 3.2 41.0 1.0 O A:LYS474 3.3 33.7 1.0 O A:LEU477 3.6 32.7 1.0 CD A:GLU482 4.4 35.8 1.0 C A:LYS474 4.4 32.1 1.0 CB A:SER478 4.7 32.5 1.0 C A:LEU477 4.8 30.9 1.0 OE2 A:GLU482 4.8 41.4 1.0 CA A:SER478 4.9 29.4 1.0 CG A:LYS474 4.9 37.6 1.0 O A:SER475 4.9 39.9 1.0 CA A:SER475 4.9 38.2 1.0

Calcium binding site 3 out of 4 in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:66.8 occ:1.00 O A:ARG591 2.7 25.6 1.0 OE2 A:GLU633 2.8 24.2 1.0 OE1 A:GLU633 2.9 26.3 1.0 O A:HOH1192 3.2 28.3 1.0 CD A:GLU633 3.2 24.2 1.0 O A:GLY588 3.2 22.5 1.0 O A:GLY593 3.3 23.9 1.0 O A:HOH1151 3.4 32.7 1.0 N A:GLY593 3.7 24.9 1.0 C A:ARG591 3.9 24.3 1.0 C A:GLY593 4.1 25.9 1.0 C A:GLY588 4.1 20.5 1.0 C A:LYS592 4.3 25.8 1.0 CA A:LYS592 4.3 25.0 1.0 O A:HOH963 4.3 26.4 1.0 CA A:GLY593 4.3 27.4 1.0 N A:LYS592 4.5 25.6 1.0 CA A:VAL589 4.5 17.4 1.0 O A:VAL589 4.6 20.9 1.0 CG A:GLU633 4.7 16.9 1.0 C A:VAL589 4.7 18.1 1.0 N A:VAL589 4.8 20.1 1.0 OG1 A:THR594 4.8 24.9 1.0 N A:ARG591 4.9 22.5 1.0 CA A:ARG591 5.0 27.1 1.0

Calcium binding site 4 out of 4 in the The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Second Pdz Domain of DLG1 Complexed with the Pdz-Binding Motif of HTLV1-TAX1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca804 b:26.6 occ:1.00 O A:MET664 2.4 19.3 1.0 O A:GLY668 2.4 25.0 1.0 O A:GLY666 2.5 23.5 1.0 OD2 A:ASP708 2.5 24.1 1.0 OD1 A:ASP708 2.6 25.5 1.0 CG A:ASP708 2.9 23.3 1.0 C A:MET664 3.5 19.0 1.0 C A:GLY668 3.6 25.9 1.0 C A:GLY666 3.7 25.0 1.0 N A:GLY668 4.0 26.9 1.0 CA A:MET664 4.1 20.2 1.0 N A:GLY666 4.1 24.5 1.0 OG1 A:THR669 4.3 24.3 1.0 CA A:GLY668 4.3 23.6 1.0 C A:LYS665 4.3 26.7 1.0 C A:LYS667 4.3 24.2 1.0 CB A:ASP708 4.4 21.7 1.0 CA A:GLY666 4.5 22.8 1.0 N A:LYS665 4.5 21.9 1.0 O A:LYS665 4.6 26.6 1.0 N A:THR669 4.6 22.0 1.0 O A:HOH1077 4.6 38.3 1.0 N A:LYS667 4.7 19.8 1.0 CB A:MET664 4.7 20.7 1.0 CA A:LYS667 4.8 20.1 1.0 O A:HOH946 4.8 22.8 1.0 O A:LYS667 4.8 23.1 1.0 CA A:THR669 4.8 21.0 1.0 CA A:LYS665 4.9 24.2 1.0 O A:HOH1063 4.9 26.4 1.0

A.Cousido-Siah, L.Carneiro, C.Kostmann, P.Ecsedi, L.Nyitray, G.Trave, G.Gogl. A Scalable Strategy to Solve Structures of Pdz Domains and Their Complexes. Acta Crystallogr D Struct V. 78 509 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 35362473
DOI: 10.1107/S2059798322001784