Zinc in PDB 6s8y: Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer

The structure of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer, PDB code: 6s8y was solved by J.M.Alex, V.Corvaglia, X.Hu, S.Engilberge, I.Huc, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.90 / 2.09
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.138, 39.138, 187.366, 90.00, 90.00, 120.00
R / Rfree (%)	22.5 / 26.7

The structure of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer (pdb code 6s8y). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer, PDB code: 6s8y:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:0.1 occ:1.00 O A:HOH319 1.9 79.1 1.0 OXT A:GLU103 2.0 0.7 1.0 O A:ACT204 2.1 72.1 1.0 OXT A:ACT204 2.2 73.1 1.0 NE2 A:HIS33 2.3 61.4 1.0 C A:ACT204 2.4 65.5 1.0 CE1 A:HIS33 2.8 61.2 1.0 C A:GLU103 3.2 88.6 1.0 CD2 A:HIS33 3.5 60.0 1.0 O A:HOH306 3.8 79.4 1.0 CH3 A:ACT204 3.8 45.0 1.0 O A:GLU103 3.9 94.4 1.0 ND1 A:HIS33 4.1 60.8 1.0 H1 A:ACT204 4.1 47.3 1.0 NZ A:LYS22 4.1 0.1 1.0 H3 A:ACT204 4.3 42.8 1.0 CG A:HIS33 4.4 57.2 1.0 CA A:GLU103 4.4 67.3 1.0 H2 A:ACT204 4.4 44.3 1.0 OE1 A:GLU103 4.4 0.6 1.0 O A:THR102 4.6 59.0 1.0 CB A:LYS22 4.9 65.1 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:77.1 occ:0.50 O A:HOH301 2.0 66.4 1.0 NE2 A:HIS39 2.0 73.2 1.0 O A:ACT205 2.0 70.3 0.5 OXT A:ACT205 2.1 67.2 0.5 C A:ACT205 2.3 66.2 0.5 CD2 A:HIS39 2.9 72.5 1.0 CE1 A:HIS39 3.1 72.9 1.0 CH3 A:ACT205 3.9 58.7 0.5 CG A:HIS39 4.1 69.7 1.0 ND1 A:HIS39 4.2 72.9 1.0 H1 A:ACT205 4.3 61.0 0.5 H3 A:ACT205 4.3 56.3 0.5 H2 A:ACT205 4.3 58.7 0.5 CB A:LEU58 4.5 66.5 1.0 O A:ASN56 4.5 77.5 1.0 ND2 A:ASN56 4.9 69.9 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Cytochrome C in Complex with A Sulfonated Quinoline-Derived Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn208 b:98.5 occ:1.00 O33 A:L0T207 2.2 73.6 1.0 O22 A:L0T207 2.5 66.7 1.0 O9 A:L0T206 2.7 45.3 0.5 C27 A:L0T206 3.0 49.3 0.5 C21 A:L0T206 3.1 56.8 0.5 C96 A:L0T207 3.2 70.2 1.0 C20 A:L0T206 3.2 60.2 0.5 O32 A:L0T207 3.3 69.8 1.0 S77 A:L0T207 3.6 72.2 1.0 O23 A:L0T207 4.0 74.3 1.0 C73 A:L0T207 4.0 67.1 1.0 N28 A:L0T206 4.0 49.1 0.5 N22 A:L0T206 4.1 60.7 0.5 C19 A:L0T206 4.2 64.0 0.5 O24 A:L0T206 4.2 50.0 0.5 C74 A:L0T207 4.5 64.6 1.0 C35 A:L0T206 4.5 53.9 0.5 C95 A:L0T207 4.5 63.0 1.0 C1 A:L0T206 4.6 75.2 0.5 C74 A:L0T206 4.6 52.4 0.5 C30 A:L0T206 4.7 49.4 0.5 C70 A:L0T207 4.7 63.1 1.0 O7 A:L0T206 4.7 70.5 0.5 C41 A:L0T206 4.8 51.0 0.5 C11 A:L0T206 4.9 62.5 0.5 O23 A:L0T206 4.9 61.5 0.5 O21 A:L0T207 4.9 65.3 1.0 C94 A:L0T207 4.9 63.0 1.0 S23 A:L0T206 5.0 67.8 0.5 C12 A:L0T206 5.0 63.2 0.5

J.M.Alex, V.Corvaglia, X.Hu, S.Engilberge, I.Huc, P.B.Crowley. Crystal Structure of A Protein-Aromatic Foldamer Composite: Macromolecular Chiral Resolution. Chem.Commun.(Camb.) V. 55 11087 2019.
ISSN: ESSN 1364-548X
PubMed: 31460523
DOI: 10.1039/C9CC05330A