Calcium in PDB 7lv4: Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II)

The structure of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II), PDB code: 7lv4 was solved by T.S.Choi, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.38 / 1.99
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.964, 83.927, 38.541, 90, 100.67, 90
R / Rfree (%)	24 / 30.6

The structure of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II) also contains other interesting chemical elements:

Copper	(Cu)	1 atom
Iron	(Fe)	2 atoms

The binding sites of Calcium atom in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II) (pdb code 7lv4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II), PDB code: 7lv4:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:30.0 occ:0.71 O1A C:HEC201 2.3 39.1 1.0 OE2 C:GLU4 2.5 28.1 1.0 CGA C:HEC201 3.1 44.4 1.0 O2A C:HEC201 3.2 41.5 1.0 CD C:GLU4 3.5 41.5 1.0 CG C:GLU4 4.0 26.7 1.0 CBA C:HEC201 4.5 33.7 1.0 O C:HOH308 4.6 30.0 1.0 OE1 C:GLU4 4.7 25.6 1.0

Calcium binding site 2 out of 3 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:57.8 occ:1.00 O A:LYS19 2.7 34.5 1.0 OD1 A:ASP21 2.8 39.9 1.0 C A:LYS19 3.6 36.2 1.0 CG A:ASP21 3.6 31.5 1.0 OD2 A:ASP21 3.8 52.8 1.0 CA A:LYS19 4.0 36.8 1.0 CB A:LYS19 4.0 30.7 1.0 O A:ALA20 4.7 27.8 1.0 N A:ALA20 4.7 30.6 1.0 C A:ALA20 4.8 31.3 1.0

Calcium binding site 3 out of 3 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H97A, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:30.0 occ:0.61 O A:HOH302 2.2 30.0 1.0 O1D A:HEC201 2.4 42.3 1.0 OE1 A:GLU4 3.2 39.4 1.0 CGD A:HEC201 3.2 29.1 1.0 O2D A:HEC201 3.4 37.9 1.0 O2A A:HEC201 3.5 48.6 1.0 CD A:GLU4 4.0 49.5 1.0 CG A:GLU4 4.6 35.5 1.0 CBD A:HEC201 4.6 33.5 1.0 CGA A:HEC201 4.8 41.7 1.0 CG A:PRO46 4.8 42.4 1.0 OE2 A:GLU4 4.8 57.5 1.0 CAD A:HEC201 4.9 32.1 1.0

T.S.Choi, F.A.Tezcan. Structure-Guided Metal Selectivity in Malleable Protein Interface Mediated By Single Disulfide Bond To Be Published.