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

The structure of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II), PDB code: 7lsn 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)	30.33 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.64, 60.66, 64.29, 90, 90, 90
R / Rfree (%)	20.7 / 23.6

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

Nickel

(Ni)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:16.8 occ:1.00 FE C:HEC201 0.0 16.8 1.0 ND C:HEC201 2.0 16.3 1.0 NA C:HEC201 2.0 16.4 1.0 NB C:HEC201 2.0 14.5 1.0 NC C:HEC201 2.1 16.6 1.0 NE2 C:HIS102 2.1 14.9 1.0 SD C:MET7 2.4 17.1 1.0 C1D C:HEC201 3.0 15.8 1.0 C4D C:HEC201 3.0 18.8 1.0 CE1 C:HIS102 3.0 16.3 1.0 C1A C:HEC201 3.1 19.0 1.0 C1B C:HEC201 3.1 14.5 1.0 C4A C:HEC201 3.1 15.4 1.0 C1C C:HEC201 3.1 13.8 1.0 C4B C:HEC201 3.1 15.0 1.0 C4C C:HEC201 3.1 15.0 1.0 CD2 C:HIS102 3.1 15.8 1.0 CHA C:HEC201 3.4 19.0 1.0 CHB C:HEC201 3.4 17.2 1.0 CHD C:HEC201 3.4 16.3 1.0 CHC C:HEC201 3.5 15.1 1.0 CG C:MET7 3.5 20.7 1.0 CE C:MET7 3.5 18.4 1.0 ND1 C:HIS102 4.2 17.7 1.0 CB C:MET7 4.2 16.8 1.0 CG C:HIS102 4.2 17.6 1.0 C3D C:HEC201 4.3 20.9 1.0 C2D C:HEC201 4.3 18.0 1.0 C2A C:HEC201 4.3 18.0 1.0 C2B C:HEC201 4.3 17.6 1.0 C3A C:HEC201 4.3 16.5 1.0 C3B C:HEC201 4.3 16.9 1.0 C2C C:HEC201 4.3 14.6 1.0 C3C C:HEC201 4.3 13.1 1.0 CA C:MET7 5.0 15.8 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, DICYT2 - H63A, Crystallized in the Presence of Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.1 occ:1.00 FE A:HEC201 0.0 22.1 1.0 ND A:HEC201 2.0 22.5 1.0 NC A:HEC201 2.0 19.3 1.0 NA A:HEC201 2.0 21.7 1.0 NB A:HEC201 2.1 20.1 1.0 NE2 A:HIS102 2.2 25.8 1.0 SD A:MET7 2.5 21.9 1.0 C1A A:HEC201 3.0 30.6 1.0 C4D A:HEC201 3.0 26.9 1.0 C1C A:HEC201 3.1 19.2 1.0 C1D A:HEC201 3.1 25.2 1.0 C4C A:HEC201 3.1 21.6 1.0 C4A A:HEC201 3.1 24.1 1.0 C1B A:HEC201 3.1 19.1 1.0 C4B A:HEC201 3.1 20.1 1.0 CD2 A:HIS102 3.1 21.8 1.0 CE1 A:HIS102 3.2 22.1 1.0 CG A:MET7 3.4 23.7 1.0 CHA A:HEC201 3.4 26.8 1.0 CHD A:HEC201 3.4 21.3 1.0 CHB A:HEC201 3.4 21.2 1.0 CHC A:HEC201 3.5 17.8 1.0 CE A:MET7 3.5 24.0 1.0 CB A:MET7 4.2 25.2 1.0 C2A A:HEC201 4.3 28.8 1.0 C3A A:HEC201 4.3 26.3 1.0 C2D A:HEC201 4.3 31.2 1.0 C3D A:HEC201 4.3 32.0 1.0 C2C A:HEC201 4.3 20.0 1.0 C3C A:HEC201 4.3 21.3 1.0 C2B A:HEC201 4.3 19.0 1.0 CG A:HIS102 4.3 22.5 1.0 ND1 A:HIS102 4.3 20.5 1.0 C3B A:HEC201 4.3 20.5 1.0 CA A:MET7 5.0 24.3 1.0

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