Copper in PDB 5vl8: 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: 5vl8 was solved by S.I.Mann, T.Heinisch, T.R.Ward, A.S.Borovik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.90 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.580, 57.580, 183.570, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.5

The binding sites of Copper atom in the Coordination Chemistry Within A Protein Host: Regulation of the Secondary Coordination Sphere (pdb code 5vl8). 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: 5vl8:
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:35.7 occ:1.00 CU1 A:S32201 0.0 35.7 1.0 N6 A:S32201 2.1 41.5 1.0 N5 A:S32201 2.1 43.2 1.0 N4 A:S32201 2.2 30.2 1.0 O3 A:S32201 2.3 35.8 1.0 C20 A:S32201 2.8 33.7 1.0 C12 A:S32201 2.9 28.0 1.0 C23 A:S32201 3.0 49.3 1.0 C13 A:S32201 3.0 30.0 1.0 C15 A:S32201 3.0 41.3 1.0 C22 A:S32201 3.0 45.7 1.0 C16 A:S32201 3.0 48.1 1.0 C14 A:S32201 3.2 35.8 1.0 C21 A:S32201 3.3 43.4 1.0 C27 A:S32201 4.2 27.0 1.0 C24 A:S32201 4.3 51.8 1.0 C19 A:S32201 4.3 46.6 1.0 C26 A:S32201 4.3 46.0 1.0 C17 A:S32201 4.4 48.1 1.0 O A:HOH378 4.5 46.8 1.0 C18 A:S32201 4.8 47.0 1.0 C25 A:S32201 4.9 51.0 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:57.3 occ:0.50 NE2 A:HIS87 2.6 20.6 1.0 O A:HOH377 2.8 43.5 1.0 CD2 A:HIS87 3.5 21.3 1.0 CE1 A:HIS87 3.6 20.7 1.0 O A:HOH328 4.2 45.1 1.0 CG A:HIS87 4.7 20.9 1.0 ND1 A:HIS87 4.7 19.7 1.0 O A:ASN85 4.9 21.6 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