Copper in PDB 6oln: Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil

The structure of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil, PDB code: 6oln was solved by K.A.Scheib, W.S.Horne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.55 / 2.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.783, 50.962, 79.264, 90.00, 90.00, 90.00
R / Rfree (%)	26.8 / 29.5

The structure of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Copper atom in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil (pdb code 6oln). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil, PDB code: 6oln:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:58.7 occ:1.00 NT2 A:7WJ21 2.0 59.5 1.0 NU1 A:7WJ21 2.2 38.0 1.0 NU3 A:7WJ21 2.2 59.3 1.0 CS1 A:7WJ21 2.9 59.0 1.0 CS2 A:7WJ21 2.9 54.5 1.0 CT1 A:7WJ21 3.0 46.1 1.0 CT3 A:7WJ21 3.0 62.9 1.0 CV3 A:7WJ21 3.2 62.1 1.0 CV1 A:7WJ21 3.2 45.8 1.0 CR1 A:7WJ21 4.2 52.5 1.0 CR2 A:7WJ21 4.2 48.1 1.0 O A:HOH217 4.2 36.5 1.0 CU2 A:7WJ21 4.3 53.4 1.0 CU4 A:7WJ21 4.3 58.3 1.0 CW2 A:7WJ21 4.5 57.1 1.0 CW1 A:7WJ21 4.5 50.7 1.0 CQ A:7WJ21 4.7 52.6 1.0 CV2 A:7WJ21 4.9 46.8 1.0 CV4 A:7WJ21 4.9 56.6 1.0

Copper binding site 2 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu101 b:81.4 occ:1.00 NT2 B:7WJ21 2.0 77.2 1.0 NU3 B:7WJ21 2.2 61.9 1.0 NU1 B:7WJ21 2.2 74.2 1.0 CS1 B:7WJ21 2.9 75.5 1.0 CS2 B:7WJ21 2.9 70.0 1.0 CT1 B:7WJ21 2.9 75.5 1.0 CT3 B:7WJ21 3.0 64.6 1.0 CV3 B:7WJ21 3.2 56.3 1.0 CV1 B:7WJ21 3.2 79.4 1.0 CR1 B:7WJ21 4.2 70.2 1.0 CR2 B:7WJ21 4.2 71.7 1.0 CU2 B:7WJ21 4.3 76.1 1.0 CU4 B:7WJ21 4.3 69.2 1.0 CW2 B:7WJ21 4.5 58.8 1.0 CW1 B:7WJ21 4.5 73.4 1.0 CQ B:7WJ21 4.7 72.6 1.0 CV4 B:7WJ21 4.9 67.2 1.0 CV2 B:7WJ21 4.9 69.1 1.0

Copper binding site 3 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu101 b:75.3 occ:1.00 NT2 C:7WJ21 1.9 77.0 1.0 NU3 C:7WJ21 2.2 75.3 1.0 NU1 C:7WJ21 2.2 73.0 1.0 CS1 C:7WJ21 2.8 69.8 1.0 CS2 C:7WJ21 2.9 73.0 1.0 CT1 C:7WJ21 2.9 70.9 1.0 CT3 C:7WJ21 3.0 71.5 1.0 CV3 C:7WJ21 3.2 70.0 1.0 CV1 C:7WJ21 3.2 61.7 1.0 CR1 C:7WJ21 4.2 60.9 1.0 CR2 C:7WJ21 4.2 68.1 1.0 CU2 C:7WJ21 4.3 74.3 1.0 CU4 C:7WJ21 4.3 73.8 1.0 CW2 C:7WJ21 4.5 72.1 1.0 CW1 C:7WJ21 4.5 64.9 1.0 CQ C:7WJ21 4.7 59.2 1.0 CV4 C:7WJ21 4.9 67.7 1.0 CV2 C:7WJ21 5.0 70.1 1.0

Copper binding site 4 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu100 b:85.0 occ:1.00 NT2 D:7WJ21 1.9 78.8 1.0 NU3 D:7WJ21 2.2 76.2 1.0 NU1 D:7WJ21 2.2 85.5 1.0 CS2 D:7WJ21 2.8 78.1 1.0 CS1 D:7WJ21 2.9 87.3 1.0 CT3 D:7WJ21 2.9 78.1 1.0 CT1 D:7WJ21 3.0 92.1 1.0 CV1 D:7WJ21 3.2 85.1 1.0 CV3 D:7WJ21 3.2 70.7 1.0 CR2 D:7WJ21 4.1 83.6 1.0 CR1 D:7WJ21 4.2 91.0 1.0 CU4 D:7WJ21 4.3 72.6 1.0 CU2 D:7WJ21 4.3 94.9 1.0 CW1 D:7WJ21 4.5 89.6 1.0 CW2 D:7WJ21 4.5 66.3 1.0 CQ D:7WJ21 4.7 88.6 1.0 CV4 D:7WJ21 4.9 74.3 1.0 CV2 D:7WJ21 4.9 95.7 1.0

Copper binding site 5 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu100 b:57.4 occ:1.00 NT2 E:7WJ21 2.0 56.1 1.0 NU1 E:7WJ21 2.2 54.8 1.0 NU3 E:7WJ21 2.2 37.1 1.0 CS1 E:7WJ21 2.9 55.5 1.0 CS2 E:7WJ21 2.9 54.0 1.0 CT1 E:7WJ21 2.9 56.5 1.0 CT3 E:7WJ21 3.0 43.3 1.0 CV3 E:7WJ21 3.2 34.5 1.0 CV1 E:7WJ21 3.2 55.1 1.0 CR1 E:7WJ21 4.2 49.9 1.0 CR2 E:7WJ21 4.2 50.1 1.0 CU2 E:7WJ21 4.3 57.7 1.0 CU4 E:7WJ21 4.3 42.0 1.0 CW2 E:7WJ21 4.5 43.4 1.0 CW1 E:7WJ21 4.5 51.9 1.0 CQ E:7WJ21 4.7 47.9 1.0 CV2 E:7WJ21 4.9 53.0 1.0 CV4 E:7WJ21 4.9 44.8 1.0

Copper binding site 6 out of 6 in the Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Controlling the Self-Assembly of Synthetic Metal-Coordinating Coiled- Coil Peptides: Orthorhombic Lattice From A Trimeric Coiled Coil within 5.0Å range: probe atom residue distance (Å) B Occ F:Cu100 b:68.2 occ:1.00 NT2 F:7WJ21 1.9 57.9 1.0 NU1 F:7WJ21 2.2 49.6 1.0 NU3 F:7WJ21 2.2 63.7 1.0 CS2 F:7WJ21 2.8 54.5 1.0 CS1 F:7WJ21 2.9 45.2 1.0 CT3 F:7WJ21 2.9 59.9 1.0 CT1 F:7WJ21 3.0 36.5 1.0 CV1 F:7WJ21 3.2 38.8 1.0 CV3 F:7WJ21 3.2 58.0 1.0 CR2 F:7WJ21 4.2 43.9 1.0 CR1 F:7WJ21 4.2 37.8 1.0 CU4 F:7WJ21 4.3 63.6 1.0 CU2 F:7WJ21 4.3 29.1 1.0 CW1 F:7WJ21 4.5 32.6 1.0 CW2 F:7WJ21 4.5 60.6 1.0 CQ F:7WJ21 4.7 37.5 1.0 O A:HOH207 4.9 25.9 1.0 CV2 F:7WJ21 4.9 32.6 1.0 CV4 F:7WJ21 4.9 67.9 1.0

K.A.Scheib, N.A.Tavenor, M.J.Lawless, S.Saxena, W.S.Horne. Understanding and Controlling the Metal-Directed Assembly of Terpyridine-Functionalized Coiled-Coil Peptides. Chem.Commun.(Camb.) V. 55 7752 2019.
ISSN: ESSN 1364-548X
PubMed: 31204733
DOI: 10.1039/C9CC03496J