Calcium in PDB 7lv1: Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II)

The structure of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II), PDB code: 7lv1 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)	37.88 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.172, 83.211, 38.57, 90, 100.83, 90
R / Rfree (%)	19.1 / 23.7

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

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

The binding sites of Calcium atom in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) (pdb code 7lv1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II), PDB code: 7lv1:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, 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, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:37.3 occ:1.00 CB C:ASP66 4.0 14.1 1.0 CG C:ASP66 4.3 24.2 1.0 O C:HOH350 4.5 17.6 1.0 OD2 C:ASP66 4.7 27.1 1.0 OD1 C:ASP66 4.8 24.1 1.0

Calcium binding site 2 out of 4 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, 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, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca203 b:36.7 occ:1.00 O1A C:HEC201 2.6 22.8 1.0 O C:HOH351 2.6 31.0 1.0 OE2 C:GLU4 2.7 28.3 1.0 O C:HOH309 3.0 25.6 1.0 CGA C:HEC201 3.3 30.4 1.0 O2A C:HEC201 3.5 26.3 1.0 CD C:GLU4 3.9 28.8 1.0 CG C:GLU4 4.4 18.2 1.0 O C:HOH339 4.5 18.8 1.0 O2D C:HEC201 4.6 19.3 1.0 CBA C:HEC201 4.7 21.3 1.0 OE1 C:GLU4 4.9 23.9 1.0

Calcium binding site 3 out of 4 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, 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, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:39.7 occ:1.00 O A:LYS19 2.4 19.8 1.0 O A:HOH333 2.4 27.4 1.0 O A:HOH313 2.6 32.8 1.0 OD1 A:ASP21 2.6 25.2 1.0 OD2 A:ASP21 2.8 28.6 1.0 CG A:ASP21 3.0 20.7 1.0 C A:LYS19 3.6 19.0 1.0 NZ A:LYS19 3.7 40.8 1.0 CA A:LYS19 4.3 17.7 1.0 CB A:LYS19 4.4 24.1 1.0 C A:ALA20 4.5 15.4 1.0 CB A:ASP21 4.5 15.7 1.0 N A:ASP21 4.6 14.7 1.0 N A:ALA20 4.6 11.7 1.0 O A:ALA20 4.7 13.4 1.0 CA A:ALA20 4.8 16.7 1.0 CE A:LYS19 4.9 36.8 1.0 CA A:ASP21 5.0 19.5 1.0

Calcium binding site 4 out of 4 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, 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 4 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:36.1 occ:1.00 O A:HOH380 2.7 26.2 1.0 OE1 A:GLN41 2.8 14.2 1.0 O A:LEU38 2.9 12.7 1.0 C A:LEU38 3.7 11.0 1.0 CD A:GLN41 3.8 14.9 1.0 CB A:LEU38 3.8 12.7 1.0 CA A:LEU38 3.8 13.4 1.0 CB A:GLN41 3.9 11.3 1.0 CG A:LYS42 3.9 21.6 1.0 CD2 A:LEU38 4.0 11.3 1.0 CG A:GLN41 4.1 11.7 1.0 CE A:LYS42 4.2 25.6 1.0 CD A:LYS42 4.4 17.1 1.0 CG A:LEU38 4.5 14.5 1.0 NZ A:LYS42 4.6 32.5 1.0 N A:LYS42 4.7 13.0 1.0 C A:GLN41 4.9 13.7 1.0 N A:ASP39 4.9 11.9 1.0 CA A:GLN41 4.9 9.4 1.0 O A:HOH365 5.0 19.9 1.0

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