Nickel in PDB 7n4f: Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II)

The structure of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II), PDB code: 7n4f 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)	35.03 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.47, 84.65, 39.14, 90, 100.51, 90
R / Rfree (%)	20.8 / 25.4

The structure of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II) also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Nickel atom in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II) (pdb code 7n4f). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II), PDB code: 7n4f:

Nickel binding site 1 out of 1 in the Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ni-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Ni(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:18.1 occ:1.00 NE2 A:HIS71 2.1 24.2 1.0 NE2 C:HIS71 2.1 23.4 1.0 NE2 C:HIS67 2.1 17.0 1.0 NE2 A:HIS67 2.1 19.3 1.0 CE1 A:HIS97 2.1 22.7 1.0 O A:HOH325 2.4 22.0 1.0 NE2 A:HIS97 2.9 34.4 1.0 CE1 A:HIS67 3.0 27.2 1.0 CE1 C:HIS71 3.0 31.0 1.0 CE1 A:HIS71 3.1 29.5 1.0 CE1 C:HIS67 3.1 28.4 1.0 CD2 C:HIS67 3.1 24.4 1.0 CD2 A:HIS71 3.1 25.1 1.0 CD2 C:HIS71 3.2 28.1 1.0 CD2 A:HIS67 3.2 22.6 1.0 ND1 A:HIS97 3.2 24.6 1.0 CD2 A:HIS97 4.1 25.1 1.0 ND1 A:HIS67 4.2 30.5 1.0 ND1 A:HIS71 4.2 30.5 1.0 ND1 C:HIS71 4.2 34.3 1.0 ND1 C:HIS67 4.2 23.2 1.0 CG C:HIS67 4.2 23.0 1.0 CG A:HIS71 4.2 22.7 1.0 CG C:HIS71 4.3 24.0 1.0 CG A:HIS97 4.3 23.1 1.0 CG A:HIS67 4.3 19.5 1.0 O C:HOH325 4.4 22.6 1.0 O C:HOH304 4.9 30.4 1.0

T.S.Choi, F.A.Tezcan. Overcoming Universal Restrictions on Metal Selectivity By Protein Design. Nature V. 603 522 2022.
ISSN: ESSN 1476-4687
PubMed: 35236987
DOI: 10.1038/S41586-022-04469-8