Cobalt in PDB 7n4g: Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Co(II)

The structure of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Co(II), PDB code: 7n4g 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)	34.60 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.21, 78.27, 39, 90, 100.68, 90
R / Rfree (%)	26.4 / 32.5

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

Iron

(Fe)

2 atoms

The binding sites of Cobalt atom in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Co(II) (pdb code 7n4g). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total only one binding site of Cobalt was determined in the Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Co(II), PDB code: 7n4g:

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Bound Crystal Structure of the Engineered Cyt CB562 Variant, AB2- H100A, Crystallized in the Presence of Co(II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co202 b:20.7 occ:1.00 O C:HOH311 2.1 23.5 1.0 NE2 A:HIS97 2.1 19.3 1.0 NE2 C:HIS71 2.1 21.2 1.0 NE2 C:HIS67 2.1 19.2 1.0 NE2 A:HIS71 2.2 25.4 1.0 NE2 A:HIS67 2.2 17.2 1.0 CE1 A:HIS97 2.9 22.6 1.0 CE1 C:HIS71 3.0 30.6 1.0 CD2 C:HIS67 3.0 25.8 1.0 CE1 A:HIS67 3.1 30.8 1.0 CE1 A:HIS71 3.1 27.9 1.0 CD2 A:HIS97 3.2 23.8 1.0 CE1 C:HIS67 3.2 30.8 1.0 CD2 A:HIS67 3.2 21.6 1.0 CD2 A:HIS71 3.2 21.7 1.0 CD2 C:HIS71 3.2 21.3 1.0 ND1 A:HIS97 4.1 24.1 1.0 ND1 C:HIS71 4.2 28.0 1.0 CG C:HIS67 4.2 31.9 1.0 CG A:HIS97 4.2 23.8 1.0 ND1 A:HIS71 4.2 29.1 1.0 ND1 A:HIS67 4.2 22.1 1.0 ND1 C:HIS67 4.3 37.5 1.0 CG C:HIS71 4.3 25.5 1.0 CG A:HIS67 4.3 24.5 1.0 CG A:HIS71 4.3 25.1 1.0 O C:HOH306 4.3 30.5 1.0 O C:HOH308 4.8 30.6 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