Copper in PDB 5u59: Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate

The structure of Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate, PDB code: 5u59 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)	26.09 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	36.326, 52.170, 25.581, 90.00, 103.98, 90.00
R / Rfree (%)	22.6 / 25.7

The binding sites of Copper atom in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate (pdb code 5u59). 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 Grown with Citrate, PDB code: 5u59:
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 Grown with Citrate


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 Grown with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:55.1 occ:1.00 O3 A:CIT103 1.8 47.6 1.0 NT2 A:7WJ7 2.0 44.1 1.0 NU3 A:7WJ7 2.2 50.7 1.0 NU1 A:7WJ7 2.2 49.6 1.0 C5 A:CIT103 2.7 47.1 1.0 O4 A:CIT103 2.9 50.3 1.0 CS2 A:7WJ7 2.9 39.2 1.0 CS1 A:7WJ7 2.9 44.1 1.0 CT3 A:7WJ7 2.9 34.4 1.0 CT1 A:7WJ7 3.0 52.9 1.0 CV3 A:7WJ7 3.2 34.2 1.0 CV1 A:7WJ7 3.2 49.7 1.0 C4 A:CIT103 4.1 59.9 1.0 CR2 A:7WJ7 4.2 39.4 1.0 CR1 A:7WJ7 4.2 38.8 1.0 CU4 A:7WJ7 4.3 42.3 1.0 CU2 A:7WJ7 4.3 57.4 1.0 CW2 A:7WJ7 4.5 42.9 1.0 CW1 A:7WJ7 4.5 64.6 1.0 CQ A:7WJ7 4.7 40.9 1.0 C2 A:CIT103 4.8 70.3 1.0 O7 A:CIT103 4.8 63.7 1.0 C3 A:CIT103 4.8 65.8 1.0 CV4 A:7WJ7 4.9 45.7 1.0 CV2 A:7WJ7 4.9 48.6 1.0

Copper binding site 2 out of 2 in the Coiled Coil Peptide Metal Coordination Framework: Dimer Fold Grown with Citrate


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 Grown with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:61.5 occ:1.00 O2 A:CIT104 1.8 80.4 1.0 NT2 A:7WJ27 2.0 50.1 1.0 NU3 A:7WJ27 2.2 61.7 1.0 NU1 A:7WJ27 2.2 47.5 1.0 C1 A:CIT104 2.8 68.3 1.0 O A:HOH215 2.9 53.0 1.0 CS2 A:7WJ27 2.9 47.9 1.0 CS1 A:7WJ27 2.9 41.8 1.0 CT3 A:7WJ27 2.9 53.7 1.0 CT1 A:7WJ27 3.0 40.6 1.0 O1 A:CIT104 3.0 58.9 1.0 CV1 A:7WJ27 3.2 53.1 1.0 CV3 A:7WJ27 3.2 55.4 1.0 O7 A:CIT104 4.1 87.8 1.0 C2 A:CIT104 4.2 79.0 1.0 CR2 A:7WJ27 4.2 49.1 1.0 CR1 A:7WJ27 4.2 47.4 1.0 CU4 A:7WJ27 4.3 59.4 1.0 CU2 A:7WJ27 4.3 37.0 1.0 O A:HOH205 4.4 70.3 1.0 CW1 A:7WJ27 4.5 52.3 1.0 CW2 A:7WJ27 4.5 47.3 1.0 O4 A:CIT104 4.7 87.5 1.0 CQ A:7WJ27 4.7 44.1 1.0 C3 A:CIT104 4.8 87.0 1.0 CV4 A:7WJ27 4.9 61.4 1.0 CV2 A:7WJ27 4.9 48.0 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