Copper in PDB 5u5a: Coiled Coil Peptide Metal Coordination Framework: Dimer Fold

The structure of Coiled Coil Peptide Metal Coordination Framework: Dimer Fold, PDB code: 5u5a 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)	31.15 / 3.23
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.141, 57.141, 80.185, 90.00, 90.00, 120.00
R / Rfree (%)	29.9 / 31.3

The binding sites of Copper atom in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold (pdb code 5u5a). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold, PDB code: 5u5a:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Coiled Coil Peptide Metal Coordination Framework: Dimer 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: Dimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:0.5 occ:1.00 NT2 A:7WJ7 2.0 0.6 1.0 NU1 A:7WJ7 2.2 0.7 1.0 NU3 A:7WJ7 2.2 0.6 1.0 O A:HOH201 2.6 57.9 1.0 CS2 A:7WJ7 2.8 0.4 1.0 CS1 A:7WJ7 2.9 0.1 1.0 CT3 A:7WJ7 2.9 0.3 1.0 CT1 A:7WJ7 2.9 0.8 1.0 CV1 A:7WJ7 3.2 0.6 1.0 CV3 A:7WJ7 3.2 0.8 1.0 CR2 A:7WJ7 4.2 0.2 1.0 CR1 A:7WJ7 4.2 1.0 1.0 CU4 A:7WJ7 4.3 0.3 1.0 CU2 A:7WJ7 4.3 0.7 1.0 CW1 A:7WJ7 4.5 0.8 1.0 CW2 A:7WJ7 4.5 0.2 1.0 CQ A:7WJ7 4.7 0.7 1.0 CV4 A:7WJ7 4.9 0.2 1.0 CV2 A:7WJ7 4.9 0.6 1.0

Copper binding site 2 out of 2 in the Coiled Coil Peptide Metal Coordination Framework: Dimer 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: Dimer Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:0.8 occ:1.00 NT2 A:7WJ27 2.0 0.9 1.0 NU1 A:7WJ27 2.2 0.8 1.0 NU3 A:7WJ27 2.2 0.9 1.0 O A:HOH202 2.7 0.0 1.0 CS2 A:7WJ27 2.8 0.0 1.0 CS1 A:7WJ27 2.9 0.1 1.0 CT3 A:7WJ27 2.9 1.0 1.0 CT1 A:7WJ27 2.9 0.5 1.0 CV1 A:7WJ27 3.2 0.7 1.0 CV3 A:7WJ27 3.2 0.4 1.0 CR2 A:7WJ27 4.2 0.0 1.0 CR1 A:7WJ27 4.2 0.4 1.0 CU4 A:7WJ27 4.3 0.7 1.0 CU2 A:7WJ27 4.3 0.7 1.0 CW1 A:7WJ27 4.5 0.1 1.0 CW2 A:7WJ27 4.5 1.0 1.0 CQ A:7WJ27 4.7 0.9 1.0 CV4 A:7WJ27 4.9 0.1 1.0 CV2 A:7WJ27 4.9 0.6 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