Copper in PDB 9bni: X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide

The structure of X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide, PDB code: 9bni was solved by V.T.Dang, A.Nguyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.76 / 1.20
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	45.518, 45.518, 45.518, 90, 90, 90
R / Rfree (%)	17 / 21

The structure of X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Copper atom in the X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide (pdb code 9bni). 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 Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide, PDB code: 9bni:

Copper binding site 1 out of 1 in the X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Crystal Structure of Cu-TZ4H-H3AH10D Tryptophan Zipper Metallo- Beta-Sheet Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu103 b:25.7 occ:1.00 ND1 A:HIS12 1.9 27.3 1.0 N A:SER1 2.0 23.6 1.0 OG A:SER1 2.1 23.8 1.0 H3 A:SER1 2.1 28.3 1.0 O1 A:SO4106 2.2 67.7 1.0 CA A:SER1 2.7 23.2 1.0 O A:SER1 2.8 21.3 1.0 CB A:SER1 2.8 24.9 1.0 HB3 A:HIS12 2.8 33.1 1.0 H2 A:SER1 2.9 28.3 1.0 CE1 A:HIS12 2.9 28.9 1.0 CG A:HIS12 3.0 28.2 1.0 HE1 A:HIS12 3.0 34.7 1.0 C A:SER1 3.1 20.9 1.0 HB3 A:SER1 3.2 29.9 1.0 S A:SO4106 3.3 68.7 1.0 O2 A:SO4106 3.3 68.9 1.0 CB A:HIS12 3.4 27.6 1.0 HA A:SER1 3.6 27.8 1.0 HB2 A:SER1 3.6 29.9 1.0 H A:HIS12 3.8 25.7 1.0 HB2 A:HIS12 4.0 33.1 1.0 NE2 A:HIS12 4.0 29.9 1.0 CD2 A:HIS12 4.1 30.0 1.0 O4 A:SO4106 4.1 68.1 1.0 N A:TRP2 4.3 20.3 1.0 O3 A:SO4106 4.3 68.5 1.0 N A:HIS12 4.5 21.4 1.0 CA A:HIS12 4.6 25.2 1.0 HE2 A:HIS12 4.8 35.9 1.0 HB2 A:ALA3 4.8 21.1 1.0 H A:TRP2 4.8 24.4 1.0 O A:HOH204 4.9 19.6 1.0 HD2 A:HIS12 5.0 36.0 1.0

V.T.Dang, A.Engineer, D.Mcelheny, A.Drena, J.Telser, K.Tomczak, A.I.Nguyen. Crystallography Reveals Metal-Triggered Restructuring of Beta-Hairpins. Chemistry 02101 2024.
ISSN: ISSN 0947-6539
PubMed: 39152095
DOI: 10.1002/CHEM.202402101