Calcium in PDB 6x8x: Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1

The structure of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1, PDB code: 6x8x was solved by F.A.Tezcan, A.Kakkis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.84 / 2.51
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.172, 82.172, 48.072, 90.00, 90.00, 120.00
R / Rfree (%)	28.5 / 34.2

The structure of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Copper	(Cu)	1 atom

The binding sites of Calcium atom in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 (pdb code 6x8x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1, PDB code: 6x8x:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:66.2 occ:0.50 O A:HOH317 2.5 77.6 0.5 CA A:CA206 2.5 75.0 0.5 OD1 A:ASP21 2.8 60.0 1.0 O A:LYS19 2.8 52.5 1.0 OD2 A:ASP21 3.0 66.1 1.0 CG A:ASP21 3.2 58.4 1.0 C A:LYS19 4.0 51.0 1.0 CB A:ASP21 4.7 57.2 1.0 CB A:LYS19 4.8 51.9 1.0 CA A:LYS19 4.8 50.6 1.0 C A:ALA20 4.8 52.8 1.0 N A:ALA20 5.0 49.8 1.0 O A:ALA20 5.0 53.4 1.0

Calcium binding site 2 out of 5 in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:68.1 occ:0.50 OE1 A:GLU8 2.3 67.5 1.0 O1A A:HEC201 2.3 51.6 1.0 O A:HOH303 2.8 53.0 1.0 CD A:GLU8 3.1 68.6 1.0 CGA A:HEC201 3.3 51.5 1.0 CG A:GLU8 3.7 54.6 1.0 OE1 A:GLU4 3.9 68.9 1.0 OE2 A:GLU8 4.0 87.1 1.0 CBA A:HEC201 4.1 44.6 1.0 O2A A:HEC201 4.2 65.8 1.0 CA A:CA205 4.7 94.3 1.0

Calcium binding site 3 out of 5 in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:94.3 occ:1.00 OE2 A:GLU8 1.6 87.1 1.0 CD A:GLU8 2.5 68.6 1.0 OE1 A:GLU8 2.9 67.5 1.0 O A:HOH318 3.4 47.7 1.0 CG A:GLU8 3.9 54.6 1.0 O A:HOH303 4.0 53.0 1.0 CB A:GLU8 4.4 55.1 1.0 OD1 A:ASP12 4.4 55.1 1.0 CA A:CA204 4.7 68.1 0.5 OD2 A:ASP12 4.8 62.7 1.0

Calcium binding site 4 out of 5 in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca206 b:75.0 occ:0.50 CA A:CA203 2.5 66.2 0.5 OD1 A:ASP21 2.6 60.0 1.0 O A:HOH319 2.6 75.5 0.5 O A:LYS19 2.8 52.5 1.0 C A:LYS19 3.5 51.0 1.0 CG A:ASP21 3.8 58.4 1.0 O A:ALA20 3.9 53.4 1.0 CA A:LYS19 4.0 50.6 1.0 OD2 A:ASP21 4.3 66.1 1.0 C A:ALA20 4.4 52.8 1.0 N A:ALA20 4.5 49.8 1.0 CB A:LYS19 4.7 51.9 1.0 CA A:ALA20 4.9 49.1 1.0 CB A:ASP21 4.9 57.2 1.0 O A:GLU18 5.0 52.1 1.0

Calcium binding site 5 out of 5 in the Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Cu-Bound Structure of An Engineered Metal-Dependent Protein Trimer, TRICYT1 within 5.0Å range:

F.A.Tezcan, A.Kakkis, D.Gagnon, J.Esselborn, R.D.Britt. Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32830423
DOI: 10.1002/ANIE.202009226