Copper in PDB 6i1j: Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide

The structure of Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide, PDB code: 6i1j was solved by A.L.Boyle, N.S.Pannu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.64 / 2.35
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	30.517, 30.517, 106.035, 90.00, 90.00, 120.00
R / Rfree (%)	26.6 / 28.4

The binding sites of Copper atom in the Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide (pdb code 6i1j). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide, PDB code: 6i1j:

Copper binding site 1 out of 1 in the Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Selective Formation of Trinuclear Transition Metal Centers in A Trimeric Helical Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:0.1 occ:0.83 NE2 A:HIS13 1.9 0.2 1.0 NE2 A:HIS17 2.1 0.5 1.0 CE1 A:HIS13 2.7 0.6 1.0 CD2 A:HIS17 2.9 0.8 1.0 CD2 A:HIS13 3.0 0.8 1.0 CE1 A:HIS17 3.2 0.2 1.0 ND1 A:HIS13 3.8 0.4 1.0 CG A:HIS13 3.9 0.4 1.0 CG A:HIS17 4.1 0.3 1.0 ND1 A:HIS17 4.2 0.8 1.0

A.L.Boyle, M.Rabe, N.S.A.Crone, G.G.Rhys, N.Soler, P.Voskamp, N.S.Pannu, A.Kros. Selective Coordination of Three Transition Metal Ions Within A Coiled-Coil Peptide Scaffold. Chem Sci V. 10 7456 2019.
ISSN: ISSN 2041-6520
PubMed: 31489168
DOI: 10.1039/C9SC01165J