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

Protein crystallography data

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

Other elements in 6oln:

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

Chlorine Binding Sites:

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 6oln

Go back to Chlorine Binding Sites List in 6oln
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 6oln

Go back to Chlorine Binding Sites List in 6oln
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 6oln

Go back to Chlorine Binding Sites List in 6oln
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 6oln

Go back to Chlorine Binding Sites List in 6oln
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 6oln

Go back to Chlorine Binding Sites List in 6oln
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 6oln

Go back to Chlorine Binding Sites List in 6oln
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

Reference:

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
Page generated: Sat Dec 12 13:27:13 2020

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