Copper in PDB 5vkx: Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere

The structure of Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere, PDB code: 5vkx was solved by S.I.Mann, T.Heinisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.40 / 1.37
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.875, 57.875, 184.424, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.7

The binding sites of Copper atom in the Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere (pdb code 5vkx). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere, PDB code: 5vkx:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:32.4 occ:1.00 CU1 A:S18201 0.0 32.4 1.0 N7 A:S18201 2.0 37.1 1.0 N6 A:S18201 2.0 35.0 1.0 N4 A:S18201 2.1 24.2 1.0 N5 A:S18201 2.1 40.2 1.0 C20 A:S18201 2.8 28.8 1.0 C23 A:S18201 2.8 40.6 1.0 C22 A:S18201 2.9 31.7 1.0 N8 A:S18201 2.9 45.5 1.0 C16 A:S18201 2.9 46.9 1.0 C12 A:S18201 3.0 22.5 1.0 C15 A:S18201 3.1 30.6 1.0 C13 A:S18201 3.2 30.2 1.0 C21 A:S18201 3.3 32.7 1.0 C14 A:S18201 3.4 34.3 1.0 N9 A:S18201 4.0 53.5 1.0 C24 A:S18201 4.3 37.8 1.0 C26 A:S18201 4.3 39.4 1.0 O A:HOH335 4.3 27.8 1.0 C17 A:S18201 4.4 43.1 1.0 C11 A:S18201 4.5 20.8 1.0 C19 A:S18201 4.5 42.9 1.0 C25 A:S18201 4.8 38.5 1.0

Copper binding site 2 out of 2 in the Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:27.8 occ:0.20 CE1 A:TYR83 4.6 33.8 1.0 CD1 A:TYR83 4.9 28.7 1.0 O A:ASN82 4.9 21.5 1.0

S.I.Mann, T.Heinisch, T.R.Ward, A.S.Borovik. Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere. Chem. Commun. (Camb.) V. 54 4413 2018.
ISSN: ESSN 1364-548X
PubMed: 29645031
DOI: 10.1039/C8CC01931B