Chlorine 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:

Copper

(Cu)

6 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl102 b:18.9 occ:1.00 N A:GLN1 3.3 16.0 1.0 NE2 A:GLN1 3.4 16.9 1.0 CG A:GLN1 3.4 14.7 1.0 CB A:GLN1 3.8 14.9 1.0 CD A:GLN1 3.9 20.6 1.0 CH3 A:ACE0 4.0 23.1 1.0 C A:ACE0 4.2 23.7 1.0 CA A:GLN1 4.2 17.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 A:Cl103 b:26.6 occ:1.00 N A:ALA3 3.3 21.7 1.0 CH3 A:ACE0 3.6 23.1 1.0 CB A:ILE2 3.7 14.1 1.0 N A:ILE2 3.7 23.1 1.0 CB A:ALA3 3.8 19.4 1.0 C A:ACE0 3.9 23.7 1.0 CA A:ILE2 4.0 16.9 1.0 N A:GLN1 4.1 16.0 1.0 C A:ILE2 4.1 21.9 1.0 CA A:ALA3 4.2 22.6 1.0 O A:ACE0 4.4 22.4 1.0 CG1 A:ILE2 4.5 14.9 1.0 C A:GLN1 4.6 22.4 1.0 CG2 A:ILE2 4.7 18.6 1.0 O A:HOH201 4.8 20.3 1.0 CA A:GLN1 5.0 17.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 B:Cl102 b:33.1 occ:1.00 O B:HOH210 3.3 28.6 1.0 N B:GLN1 3.3 22.0 1.0 NE2 B:GLN1 3.7 29.9 1.0 CH3 B:ACE0 3.7 27.1 1.0 CG B:GLN1 3.8 25.9 1.0 C B:ACE0 4.0 32.3 1.0 CB B:GLN1 4.1 25.4 1.0 CD B:GLN1 4.2 26.6 1.0 CA B:GLN1 4.3 22.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 B:Cl103 b:36.4 occ:1.00 N B:ALA3 3.1 24.1 1.0 O B:HOH210 3.2 28.6 1.0 CB B:ALA3 3.5 27.1 1.0 CH3 B:ACE0 3.7 27.1 1.0 CB B:ILE2 3.8 28.2 1.0 N B:ILE2 3.9 26.5 1.0 CA B:ALA3 3.9 21.7 1.0 C B:ACE0 3.9 32.3 1.0 C B:ILE2 4.0 29.2 1.0 CA B:ILE2 4.1 27.7 1.0 N B:GLN1 4.3 22.0 1.0 O B:ACE0 4.4 29.5 1.0 CG2 B:ILE2 4.5 27.5 1.0 C B:GLN1 4.8 28.4 1.0 CG1 B:ILE2 4.9 23.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 C:Cl102 b:42.0 occ:1.00 O C:HOH207 2.9 22.0 1.0 N C:GLN1 3.2 27.6 1.0 CG C:GLN1 3.4 28.6 1.0 OE1 C:GLN1 3.6 32.6 1.0 CH3 C:ACE0 3.7 26.8 1.0 CB C:GLN1 3.9 25.4 1.0 C C:ACE0 4.0 25.0 1.0 CD C:GLN1 4.0 33.2 1.0 CA C:GLN1 4.1 27.8 1.0 CL C:CL103 4.9 35.4 1.0 N C:ILE2 5.0 23.9 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 C:Cl103 b:35.4 occ:1.00 O C:HOH207 2.9 22.0 1.0 N C:ALA3 3.2 27.2 1.0 CH3 C:ACE0 3.6 26.8 1.0 CB C:ILE2 3.6 24.4 1.0 N C:ILE2 3.7 23.9 1.0 CB C:ALA3 3.8 28.3 1.0 C C:ACE0 3.9 25.0 1.0 CA C:ILE2 4.0 26.8 1.0 C C:ILE2 4.0 25.1 1.0 CA C:ALA3 4.1 29.0 1.0 N C:GLN1 4.2 27.6 1.0 CG1 C:ILE2 4.3 25.5 1.0 O C:ACE0 4.4 25.9 1.0 CG2 C:ILE2 4.7 19.0 1.0 C C:GLN1 4.7 25.1 1.0 CL C:CL102 4.9 42.0 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