Copper in PDB 7l33: X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer

The structure of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer, PDB code: 7l33 was solved by S.Chakraborty, Z.Wawrzak, P.Prasad, S.Mitra, D.Prakash, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.91 / 1.45
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	39.26, 39.26, 83.63, 90, 90, 120
R / Rfree (%)	26.9 / 29.5

The binding sites of Copper atom in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer (pdb code 7l33). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer, PDB code: 7l33:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


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 Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:87.9 occ:0.33 NE2 A:HIS9 2.0 64.0 1.0 CD2 A:HIS9 2.2 62.1 1.0 CE1 A:HIS9 3.2 60.8 1.0 CG A:HIS9 3.5 50.7 1.0 ND1 A:HIS9 3.9 61.6 1.0 CG2 A:ILE5 4.6 35.5 1.0 CB A:HIS9 4.7 42.6 1.0 CD1 A:ILE12 4.7 44.2 1.0 CA A:HIS9 4.8 39.9 1.0 O A:ILE5 5.0 31.1 1.0

Copper binding site 2 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu101 b:73.5 occ:0.16 NE2 B:HIS9 2.4 73.4 1.0 CE1 B:HIS9 2.5 72.0 1.0 CD2 B:HIS9 3.2 68.1 1.0 ND1 B:HIS9 3.3 78.4 1.0 CG2 B:ILE5 3.6 58.8 1.0 CG B:HIS9 3.7 64.4 1.0 O B:ILE5 4.8 62.7 1.0 CB B:ILE5 5.0 54.6 1.0

Copper binding site 3 out of 3 in the X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of X-Ray Structure of A Cu-Bound De Novo Designed Peptide Trimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu101 b:82.9 occ:0.33 NE2 C:HIS9 2.1 59.7 1.0 CD2 C:HIS9 2.5 58.8 1.0 CE1 C:HIS9 3.0 60.9 1.0 CG C:HIS9 3.5 48.0 1.0 ND1 C:HIS9 3.7 52.5 1.0 CG2 C:ILE5 4.3 38.5 1.0 CB C:HIS9 4.7 47.6 1.0 O C:ILE5 4.9 31.9 1.0 CA C:HIS9 4.9 43.5 1.0 CD1 C:ILE12 5.0 49.7 1.0

S.Mitra, D.Prakash, K.Rajabimoghadam, Z.Wawrzak, P.Prasad, T.Wu, S.K.Misra, J.S.Sharp, I.Garcia-Bosch, S.Chakraborty. De Novo Design of A Self-Assembled Artificial Copper Peptide That Activates and Reduces Peroxide Acs Catalysis V. 11 10267 2021.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C02132