Copper in PDB 7tc6: All Phe-Azurin Variant - F15W

The structure of All Phe-Azurin Variant - F15W, PDB code: 7tc6 was solved by B.P.Fedoretz-Maxwell, L.J.Worrall, N.C.J.Strynadka, J.J.Warren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.14 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.782, 59.525, 74.342, 90, 90, 90
R / Rfree (%)	18.9 / 24.3

The binding sites of Copper atom in the All Phe-Azurin Variant - F15W (pdb code 7tc6). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the All Phe-Azurin Variant - F15W, PDB code: 7tc6:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the All Phe-Azurin Variant - F15W


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of All Phe-Azurin Variant - F15W within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:17.6 occ:1.00 HD1 A:HIS117 1.1 16.4 1.0 HD1 A:HIS46 1.2 16.8 1.0 ND1 A:HIS117 2.0 16.3 1.0 ND1 A:HIS46 2.0 16.2 1.0 SG A:CYS112 2.3 17.2 1.0 HA A:HIS46 2.6 16.5 1.0 O A:GLY45 2.9 16.7 1.0 CE1 A:HIS46 3.0 17.9 1.0 HB3 A:HIS117 3.0 17.7 1.0 CE1 A:HIS117 3.0 16.7 1.0 CG A:HIS117 3.0 16.4 1.0 HG A:CYS112 3.0 16.6 1.0 HB3 A:PHE114 3.1 15.6 1.0 CG A:HIS46 3.1 16.9 1.0 HE1 A:HIS46 3.1 17.2 1.0 HE1 A:HIS117 3.2 16.5 1.0 HB3 A:CYS112 3.2 15.9 1.0 CB A:CYS112 3.2 15.7 1.0 SD A:MET121 3.3 21.9 1.0 CB A:HIS117 3.3 18.0 1.0 CA A:HIS46 3.4 17.0 1.0 HB2 A:HIS117 3.4 17.7 1.0 HB2 A:CYS112 3.4 15.9 1.0 HB2 A:PHE114 3.4 15.6 1.0 HB3 A:HIS46 3.4 16.5 1.0 CB A:HIS46 3.5 16.0 1.0 CB A:PHE114 3.7 15.3 1.0 HE1 A:MET121 3.8 22.8 1.0 HE2 A:MET121 3.8 22.8 1.0 C A:GLY45 3.9 14.9 1.0 CE A:MET121 3.9 23.3 1.0 H A:PHE114 4.0 15.7 1.0 H A:ASN47 4.0 16.9 1.0 N A:HIS46 4.1 15.3 1.0 NE2 A:HIS117 4.1 16.4 1.0 CD2 A:HIS117 4.2 18.0 1.0 NE2 A:HIS46 4.2 16.8 1.0 CD2 A:HIS46 4.2 16.9 1.0 HB2 A:HIS46 4.4 16.5 1.0 C A:HIS46 4.6 16.9 1.0 N A:ASN47 4.6 17.1 1.0 CA A:CYS112 4.6 15.2 1.0 HG2 A:MET13 4.7 35.6 1.0 CG A:PHE114 4.7 16.5 1.0 HB2 A:MET121 4.7 20.3 1.0 N A:PHE114 4.7 15.5 1.0 CA A:PHE114 4.8 15.4 1.0 CG A:MET121 4.8 22.2 1.0 HE3 A:MET121 4.8 22.9 1.0 CA A:HIS117 4.8 18.3 1.0 H A:HIS46 4.9 15.6 1.0 HE2 A:HIS117 4.9 16.4 0.0 HE2 A:HIS46 4.9 16.9 0.0 HD12 A:LEU86 5.0 20.4 1.0 C A:CYS112 5.0 16.2 1.0

Copper binding site 2 out of 3 in the All Phe-Azurin Variant - F15W


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of All Phe-Azurin Variant - F15W within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu202 b:36.0 occ:1.00 O2 A:NO3203 1.1 17.0 1.0 HE2 B:HIS124 1.2 21.0 0.0 HE2 A:HIS124 1.4 21.1 0.0 N A:NO3203 1.7 31.8 1.0 NE2 B:HIS124 2.0 20.9 1.0 NE2 A:HIS124 2.2 21.5 1.0 O3 A:NO3203 2.2 27.5 1.0 O1 A:NO3203 2.7 35.9 1.0 SD A:MET109 2.8 25.1 1.0 HD2 A:HIS124 2.8 19.7 1.0 CD2 A:HIS124 2.9 19.0 1.0 CD2 B:HIS124 3.0 19.0 1.0 HE1 A:MET109 3.0 23.9 1.0 HE3 A:MET109 3.0 23.9 1.0 CE1 B:HIS124 3.0 21.2 1.0 CE A:MET109 3.1 23.5 1.0 HD2 B:HIS124 3.1 19.6 1.0 HE1 B:HIS124 3.2 20.9 1.0 CE1 A:HIS124 3.4 22.4 1.0 HE3 B:MET109 3.5 29.3 1.0 HE1 B:MET109 3.5 29.3 1.0 HG2 A:MET109 3.6 21.7 1.0 HE1 A:HIS124 3.7 21.5 1.0 SD B:MET109 3.7 29.3 1.0 CE B:MET109 3.8 29.3 1.0 CG A:MET109 3.8 21.0 1.0 ND1 B:HIS124 4.1 20.9 1.0 HE2 A:MET109 4.1 23.9 1.0 CG B:HIS124 4.1 19.6 1.0 HG3 A:MET109 4.1 21.7 1.0 CG A:HIS124 4.1 19.6 1.0 ND1 A:HIS124 4.3 20.0 1.0 HG2 B:MET109 4.4 24.7 1.0 HB1 A:ALA53 4.6 24.9 1.0 CG B:MET109 4.7 24.0 1.0 HE2 B:MET109 4.7 29.3 1.0 HB2 A:ALA53 4.7 24.9 1.0 HD1 B:HIS124 4.9 21.0 0.0 HE2 A:LYS122 4.9 36.4 1.0 HG3 B:MET109 5.0 24.7 1.0

Copper binding site 3 out of 3 in the All Phe-Azurin Variant - F15W


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of All Phe-Azurin Variant - F15W within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:22.2 occ:1.00 HD1 B:HIS46 1.1 18.9 0.0 HG B:CYS112 1.1 19.9 0.0 HD1 B:HIS117 1.2 24.1 0.0 ND1 B:HIS46 2.0 18.7 1.0 ND1 B:HIS117 2.1 24.4 1.0 SG B:CYS112 2.2 19.9 1.0 HA B:HIS46 2.5 19.5 1.0 CE1 B:HIS46 2.8 18.8 1.0 O B:GLY45 2.9 24.3 1.0 HE1 B:HIS46 3.0 19.1 1.0 CE1 B:HIS117 3.0 26.7 1.0 HB3 B:HIS117 3.1 25.5 1.0 CG B:HIS117 3.1 25.1 1.0 CG B:HIS46 3.1 20.3 1.0 HB3 B:PHE114 3.2 26.4 1.0 HE1 B:HIS117 3.2 25.7 1.0 HB3 B:CYS112 3.2 18.1 1.0 CB B:CYS112 3.2 17.8 1.0 CA B:HIS46 3.4 19.9 1.0 HB2 B:CYS112 3.4 18.1 1.0 CB B:HIS117 3.4 25.7 1.0 HB2 B:HIS117 3.4 25.5 1.0 SD B:MET121 3.4 26.4 1.0 CB B:HIS46 3.5 20.6 1.0 HB3 B:HIS46 3.6 20.3 1.0 HE1 B:MET121 3.6 26.2 1.0 HB2 B:PHE114 3.7 26.4 1.0 C B:GLY45 3.8 22.7 1.0 CB B:PHE114 3.9 26.2 1.0 CE B:MET121 4.0 26.2 1.0 H B:ASN47 4.0 16.5 1.0 N B:HIS46 4.0 20.5 1.0 NE2 B:HIS46 4.0 20.0 1.0 H B:PHE114 4.1 22.9 1.0 HE2 B:MET121 4.1 26.2 1.0 CD2 B:HIS46 4.2 21.2 1.0 NE2 B:HIS117 4.2 24.8 1.0 CD2 B:HIS117 4.2 27.3 1.0 HB2 B:HIS46 4.5 20.3 1.0 C B:HIS46 4.5 16.9 1.0 N B:ASN47 4.6 16.5 1.0 CA B:CYS112 4.6 17.2 1.0 CG B:PHE114 4.7 26.9 1.0 HE2 B:HIS46 4.8 20.4 0.0 N B:PHE114 4.8 22.4 1.0 H B:HIS46 4.9 20.8 1.0 HG2 B:MET13 4.9 37.8 1.0 HB2 B:MET121 4.9 26.2 1.0 HE3 B:MET121 4.9 26.3 1.0 CA B:HIS117 4.9 25.3 1.0 CA B:PHE114 4.9 26.1 1.0 HE2 B:HIS117 4.9 24.8 0.0 HA B:CYS112 5.0 17.7 1.0 HD12 B:LEU86 5.0 21.0 1.0 CG B:MET121 5.0 25.5 1.0

B.P.Fedoretz-Maxwell, C.H.Shin, G.A.Macneil, L.J.Worrall, R.Park, N.C.J.Strynadka, C.J.Walsby, J.J.Warren. The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins. Inorg.Chem. V. 61 5563 2022.
ISSN: ISSN 0020-1669
PubMed: 35347989
DOI: 10.1021/ACS.INORGCHEM.2C00030