Copper in PDB 5u5b: Coiled Coil Peptide Metal Coordination Framework: Trimer Fold

The structure of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold, PDB code: 5u5b was solved by N.A.Tavenor, M.J.Murnin, W.S.Horne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.81 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.749, 77.749, 55.325, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 28.2

The binding sites of Copper atom in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold (pdb code 5u5b). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 7 binding sites of Copper where determined in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold, PDB code: 5u5b:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7;

Copper binding site 1 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:0.4 occ:1.00 NT2 A:7WJ3 2.0 87.5 1.0 NU3 A:7WJ3 2.2 88.5 1.0 NU1 A:7WJ3 2.2 91.1 1.0 CS1 A:7WJ3 2.9 79.2 1.0 CS2 A:7WJ3 2.9 88.4 1.0 CT1 A:7WJ3 2.9 86.7 1.0 CT3 A:7WJ3 2.9 94.2 1.0 O A:HOH208 3.0 76.4 1.0 CV3 A:7WJ3 3.2 84.2 1.0 CV1 A:7WJ3 3.2 88.0 1.0 O A:HOH209 3.9 81.6 1.0 CR1 A:7WJ3 4.2 79.3 1.0 CR2 A:7WJ3 4.2 81.1 1.0 CU2 A:7WJ3 4.3 83.6 1.0 CU4 A:7WJ3 4.3 99.1 1.0 CW2 A:7WJ3 4.5 99.1 1.0 CW1 A:7WJ3 4.5 95.0 1.0 CQ A:7WJ3 4.7 78.9 1.0 CV2 A:7WJ3 4.9 88.4 1.0 CV4 A:7WJ3 4.9 99.3 1.0

Copper binding site 2 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:58.9 occ:1.00 NT2 A:7WJ25 2.0 57.8 1.0 NU1 A:7WJ25 2.2 59.6 1.0 NU3 A:7WJ25 2.2 61.9 1.0 CS2 A:7WJ25 2.9 49.2 1.0 CS1 A:7WJ25 2.9 57.8 1.0 CT1 A:7WJ25 2.9 56.4 1.0 CT3 A:7WJ25 2.9 54.5 1.0 CV3 A:7WJ25 3.2 62.3 1.0 CV1 A:7WJ25 3.2 53.6 1.0 CR2 A:7WJ25 4.2 46.0 1.0 CR1 A:7WJ25 4.2 49.8 1.0 CU2 A:7WJ25 4.3 54.9 1.0 CU4 A:7WJ25 4.3 63.2 1.0 CW2 A:7WJ25 4.5 71.9 1.0 CW1 A:7WJ25 4.5 57.3 1.0 CQ A:7WJ25 4.7 53.7 1.0 CV2 A:7WJ25 4.9 62.0 1.0 CV4 A:7WJ25 4.9 57.6 1.0

Copper binding site 3 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu103 b:0.2 occ:1.00 O C:HOH204 3.7 38.1 1.0 CB A:GLU22 4.1 44.9 1.0 CV2 A:7WJ25 4.2 62.0 1.0 CG A:GLU22 4.3 46.5 1.0 O A:GLU18 4.4 51.4 1.0 CG C:LYS20 4.5 48.3 1.0 CE C:LYS20 4.5 64.8 1.0 CD C:LYS20 4.6 52.8 1.0 CD A:GLU22 4.7 55.9 1.0 C A:GLU18 4.7 48.6 1.0 O A:HOH204 4.8 51.1 1.0 CB A:GLU18 4.8 54.7 1.0 CG1 A:ILE19 4.9 42.1 1.0 CA A:ILE19 4.9 48.7 1.0 N A:ILE19 4.9 54.9 1.0 OE2 A:GLU22 4.9 53.3 1.0 CU2 A:7WJ25 4.9 54.9 1.0

Copper binding site 4 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu101 b:0.6 occ:1.00 NT2 B:7WJ3 2.0 0.5 1.0 NU3 B:7WJ3 2.2 0.7 1.0 NU1 B:7WJ3 2.2 0.4 1.0 O B:HOH210 2.9 0.4 1.0 CS1 B:7WJ3 2.9 0.5 1.0 CS2 B:7WJ3 2.9 0.3 1.0 CT3 B:7WJ3 3.0 0.0 1.0 CT1 B:7WJ3 3.0 0.6 1.0 CV1 B:7WJ3 3.2 0.3 1.0 CV3 B:7WJ3 3.2 0.1 1.0 CR1 B:7WJ3 4.2 0.9 1.0 CR2 B:7WJ3 4.2 0.1 1.0 CU4 B:7WJ3 4.3 0.9 1.0 CU2 B:7WJ3 4.3 0.4 1.0 CW2 B:7WJ3 4.5 0.9 1.0 CW1 B:7WJ3 4.5 0.2 1.0 CQ B:7WJ3 4.7 0.1 1.0 CV4 B:7WJ3 4.9 0.9 1.0 CV2 B:7WJ3 4.9 0.1 1.0

Copper binding site 5 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu102 b:71.8 occ:1.00 NT2 B:7WJ25 2.0 67.0 1.0 NU1 B:7WJ25 2.2 62.0 1.0 NU3 B:7WJ25 2.2 59.4 1.0 CS2 B:7WJ25 2.9 69.1 1.0 CS1 B:7WJ25 2.9 55.6 1.0 CT3 B:7WJ25 2.9 61.5 1.0 CT1 B:7WJ25 2.9 63.0 1.0 CV1 B:7WJ25 3.2 57.0 1.0 CV3 B:7WJ25 3.2 62.5 1.0 CR2 B:7WJ25 4.2 70.6 1.0 CR1 B:7WJ25 4.2 59.9 1.0 CU2 B:7WJ25 4.3 63.1 1.0 CU4 B:7WJ25 4.3 60.9 1.0 CW1 B:7WJ25 4.5 56.0 1.0 CW2 B:7WJ25 4.5 70.2 1.0 CQ B:7WJ25 4.7 71.7 1.0 CV2 B:7WJ25 4.9 55.7 1.0 CV4 B:7WJ25 4.9 64.7 1.0 O B:HOH212 5.0 65.1 1.0

Copper binding site 6 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu101 b:77.2 occ:1.00 NT2 C:7WJ3 2.0 87.0 1.0 NU3 C:7WJ3 2.2 62.8 1.0 NU1 C:7WJ3 2.2 83.6 1.0 CS2 C:7WJ3 2.9 76.6 1.0 CS1 C:7WJ3 2.9 65.5 1.0 CT3 C:7WJ3 3.0 66.5 1.0 CT1 C:7WJ3 3.0 64.4 1.0 O C:HOH208 3.0 63.7 1.0 CV3 C:7WJ3 3.2 61.3 1.0 CV1 C:7WJ3 3.2 73.1 1.0 CR1 C:7WJ3 4.2 70.9 1.0 CR2 C:7WJ3 4.2 67.6 1.0 CU4 C:7WJ3 4.3 68.3 1.0 CU2 C:7WJ3 4.3 58.2 1.0 CW2 C:7WJ3 4.5 55.1 1.0 CW1 C:7WJ3 4.5 51.8 1.0 CQ C:7WJ3 4.7 79.2 1.0 CV4 C:7WJ3 4.9 64.7 1.0 CV2 C:7WJ3 4.9 68.5 1.0

Copper binding site 7 out of 7 in the Coiled Coil Peptide Metal Coordination Framework: Trimer Fold


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Coiled Coil Peptide Metal Coordination Framework: Trimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu102 b:53.4 occ:1.00 NT2 C:7WJ25 2.0 59.8 1.0 NU3 C:7WJ25 2.2 52.5 1.0 NU1 C:7WJ25 2.2 45.2 1.0 O C:HOH205 2.7 63.9 1.0 CS1 C:7WJ25 2.9 52.5 1.0 CS2 C:7WJ25 2.9 54.3 1.0 CT1 C:7WJ25 2.9 48.0 1.0 CT3 C:7WJ25 2.9 53.4 1.0 CV3 C:7WJ25 3.2 56.3 1.0 CV1 C:7WJ25 3.2 50.0 1.0 CR1 C:7WJ25 4.2 51.7 1.0 CR2 C:7WJ25 4.2 49.4 1.0 CU2 C:7WJ25 4.3 52.3 1.0 CU4 C:7WJ25 4.3 52.5 1.0 CW2 C:7WJ25 4.5 44.7 1.0 CW1 C:7WJ25 4.5 54.0 1.0 CQ C:7WJ25 4.7 66.5 1.0 CV2 C:7WJ25 4.9 52.5 1.0 CV4 C:7WJ25 4.9 56.9 1.0

N.A.Tavenor, M.J.Murnin, W.S.Horne. Supramolecular Metal-Coordination Polymers, Nets, and Frameworks From Synthetic Coiled-Coil Peptides. J. Am. Chem. Soc. V. 139 2212 2017.
ISSN: ESSN 1520-5126
PubMed: 28161945
DOI: 10.1021/JACS.7B00651