Iron in PDB 7lsj: Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II)

The structure of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II), PDB code: 7lsj 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)	34.40 / 1.26
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.28, 82.72, 38.5, 90, 100.78, 90
R / Rfree (%)	17.5 / 19.2

The structure of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II) also contains other interesting chemical elements:

Calcium	(Ca)	5 atoms
Copper	(Cu)	1 atom

The binding sites of Iron atom in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II) (pdb code 7lsj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II), PDB code: 7lsj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:7.1 occ:1.00 FE C:HEC201 0.0 7.1 1.0 ND C:HEC201 2.0 8.0 1.0 NA C:HEC201 2.0 7.2 1.0 NB C:HEC201 2.0 7.5 1.0 NC C:HEC201 2.0 7.3 1.0 NE2 C:HIS102 2.1 7.7 1.0 SD C:MET7 2.4 7.2 1.0 C1D C:HEC201 3.0 6.7 1.0 CE1 C:HIS102 3.0 8.7 1.0 C4D C:HEC201 3.0 7.6 1.0 C4B C:HEC201 3.0 6.6 1.0 C1A C:HEC201 3.0 7.2 1.0 C4A C:HEC201 3.0 7.7 1.0 C1B C:HEC201 3.0 6.5 1.0 CD2 C:HIS102 3.0 7.4 1.0 C1C C:HEC201 3.1 7.5 1.0 C4C C:HEC201 3.1 6.5 1.0 CE C:MET7 3.4 9.0 1.0 CHA C:HEC201 3.4 8.1 1.0 CHC C:HEC201 3.4 7.3 1.0 CHD C:HEC201 3.4 6.7 1.0 CHB C:HEC201 3.4 7.3 1.0 CG C:MET7 3.5 7.0 1.0 ND1 C:HIS102 4.1 8.8 1.0 CG C:HIS102 4.2 7.7 1.0 C2D C:HEC201 4.2 7.4 1.0 C3D C:HEC201 4.2 7.5 1.0 CB C:MET7 4.2 8.0 1.0 C3B C:HEC201 4.3 7.3 1.0 C2B C:HEC201 4.3 7.5 1.0 C2A C:HEC201 4.3 8.6 1.0 C3A C:HEC201 4.3 7.9 1.0 C2C C:HEC201 4.3 7.0 1.0 C3C C:HEC201 4.3 7.2 1.0

Iron binding site 2 out of 2 in the Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cu-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Cu(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.0 occ:1.00 FE A:HEC201 0.0 8.0 1.0 NA A:HEC201 2.0 9.0 1.0 NB A:HEC201 2.0 7.5 1.0 ND A:HEC201 2.0 8.3 1.0 NE2 A:HIS102 2.0 8.8 1.0 NC A:HEC201 2.1 7.7 1.0 SD A:MET7 2.4 8.1 1.0 CE1 A:HIS102 3.0 9.8 1.0 C1B A:HEC201 3.0 8.2 1.0 C4A A:HEC201 3.0 9.0 1.0 C1A A:HEC201 3.0 8.2 1.0 CD2 A:HIS102 3.0 9.0 1.0 C1D A:HEC201 3.0 7.3 1.0 C4D A:HEC201 3.0 8.8 1.0 C4B A:HEC201 3.1 7.5 1.0 C1C A:HEC201 3.1 7.3 1.0 C4C A:HEC201 3.1 8.2 1.0 CE A:MET7 3.4 8.7 1.0 CHB A:HEC201 3.4 8.4 1.0 CHA A:HEC201 3.4 8.7 1.0 CG A:MET7 3.4 9.1 1.0 CHC A:HEC201 3.4 8.0 1.0 CHD A:HEC201 3.4 6.7 1.0 ND1 A:HIS102 4.1 9.5 1.0 CB A:MET7 4.2 8.6 1.0 CG A:HIS102 4.2 9.6 1.0 C2A A:HEC201 4.2 9.2 1.0 C3A A:HEC201 4.2 9.8 1.0 C2B A:HEC201 4.2 8.8 1.0 C2D A:HEC201 4.3 8.5 1.0 C3D A:HEC201 4.3 7.9 1.0 C3B A:HEC201 4.3 8.6 1.0 C2C A:HEC201 4.3 8.1 1.0 C3C A:HEC201 4.3 7.5 1.0

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