Copper in PDB 8vhs: X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif

The structure of X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif, PDB code: 8vhs was solved by S.Chakraborty, S.Mitra, D.Prakash, P.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.52 / 1.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.41, 45.47, 97.95, 90, 90, 90
R / Rfree (%)	19.6 / 22.5

The binding sites of Copper atom in the X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif (pdb code 8vhs). 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 X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif, PDB code: 8vhs:

Copper binding site 1 out of 1 in the X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Structure of A De Novo Designed Self Assembled Peptide Tetramer Featuring A Cu(His)4(H2O) Coordination Motif within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:19.6 occ:1.00 NE2 C:HIS9 2.0 18.6 1.0 NE2 B:HIS9 2.0 17.8 1.0 NE2 D:HIS9 2.1 18.2 1.0 NE2 A:HIS9 2.2 19.9 1.0 O C:HOH118 2.6 27.4 1.0 CD2 C:HIS9 2.9 18.0 1.0 CD2 B:HIS9 3.0 17.5 1.0 CE1 C:HIS9 3.0 20.3 1.0 CE1 B:HIS9 3.0 18.7 1.0 CE1 D:HIS9 3.0 20.7 1.0 CE1 A:HIS9 3.1 22.2 1.0 CD2 D:HIS9 3.2 18.8 1.0 CD2 A:HIS9 3.2 18.3 1.0 CG C:HIS9 4.1 16.8 1.0 ND1 C:HIS9 4.1 21.6 1.0 ND1 B:HIS9 4.1 18.9 1.0 CG B:HIS9 4.1 16.4 1.0 ND1 D:HIS9 4.2 19.2 1.0 ND1 A:HIS9 4.2 18.6 1.0 CG D:HIS9 4.3 17.3 1.0 CG A:HIS9 4.3 17.2 1.0 CG2 D:ILE5 4.8 19.2 1.0 CG2 B:ILE5 4.9 23.5 1.0

D.Prakash, S.Mitra, S.Sony, M.Murphy, B.Andi, L.Ashley, P.Prasad, S.Chakraborty. Controlling Outer-Sphere Solvent Reorganization Energy to Turn on or Off the Function of Artificial Metalloenzymes. Nat Commun V. 16 3048 2025.
ISSN: ESSN 2041-1723
PubMed: 40155633
DOI: 10.1038/S41467-025-57904-5