Zinc in PDB 5lvs: Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries

All present enzymatic activity of Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries:
4.2.1.1;

The structure of Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries, PDB code: 5lvs was solved by M.Jewginski, B.Langlois D'estaintot, T.Granier, Y.Huc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.85 / 1.42
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.730, 54.810, 84.700, 90.00, 112.77, 90.00
R / Rfree (%)	14.9 / 17.8

The binding sites of Zinc atom in the Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries (pdb code 5lvs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries, PDB code: 5lvs:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:18.7 occ:1.00 ND1 A:HIS119 2.0 20.5 1.0 NE2 A:HIS94 2.0 18.9 1.0 NE2 A:HIS96 2.1 20.1 1.0 N26 A:6H0302 2.1 19.6 1.0 O27 A:6H0302 2.8 20.9 1.0 CE1 A:HIS119 2.9 18.9 1.0 CD2 A:HIS96 3.0 19.5 1.0 CD2 A:HIS94 3.0 18.5 1.0 S24 A:6H0302 3.0 20.0 1.0 CG A:HIS119 3.1 19.9 1.0 CE1 A:HIS94 3.1 18.0 1.0 CE1 A:HIS96 3.2 19.5 1.0 CB A:HIS119 3.6 17.8 1.0 OG1 A:THR198 3.8 19.4 1.0 OE1 A:GLU106 4.0 22.7 1.0 NE2 A:HIS119 4.1 19.3 1.0 C21 A:6H0302 4.2 18.4 1.0 CG A:HIS96 4.2 18.1 1.0 CG A:HIS94 4.2 19.3 1.0 CD2 A:HIS119 4.2 19.1 1.0 O25 A:6H0302 4.2 19.8 1.0 ND1 A:HIS94 4.2 18.8 1.0 ND1 A:HIS96 4.2 19.6 1.0 C3 A:GOL307 4.5 18.7 1.0 C20 A:6H0302 4.8 19.9 1.0 CD A:GLU106 4.9 20.9 1.0 C22 A:6H0302 5.0 20.6 1.0

Zinc binding site 2 out of 2 in the Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:19.4 occ:1.00 NE2 B:HIS96 2.0 18.7 1.0 ND1 B:HIS119 2.0 19.7 1.0 NE2 B:HIS94 2.1 18.8 1.0 N26 B:6H0303 2.1 20.1 1.0 O27 B:6H0303 2.9 21.4 1.0 CE1 B:HIS119 2.9 20.2 1.0 CD2 B:HIS96 3.0 18.4 1.0 CD2 B:HIS94 3.0 18.1 1.0 S24 B:6H0303 3.0 20.8 1.0 CE1 B:HIS94 3.1 18.4 1.0 CE1 B:HIS96 3.1 20.1 1.0 CG B:HIS119 3.1 18.5 1.0 CB B:HIS119 3.6 16.7 1.0 OG1 B:THR198 3.8 21.3 1.0 O3 B:GOL308 3.8 20.3 0.6 OE1 B:GLU106 4.0 21.4 1.0 NE2 B:HIS119 4.1 18.8 1.0 C21 B:6H0303 4.1 20.0 1.0 O25 B:6H0303 4.2 20.6 1.0 ND1 B:HIS96 4.2 21.3 1.0 CG B:HIS96 4.2 19.1 1.0 CG B:HIS94 4.2 17.9 1.0 ND1 B:HIS94 4.2 18.4 1.0 CD2 B:HIS119 4.2 18.0 1.0 C3 B:GOL308 4.5 18.7 0.6 C3 B:GOL308 4.6 11.3 0.4 C20 B:6H0303 4.7 19.7 1.0 C22 B:6H0303 4.9 20.1 1.0 CD B:GLU106 5.0 22.1 1.0

M.Jewginski, T.Granier, B.Langlois D'estaintot, L.Fischer, C.D.Mackereth, I.Huc. Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc. V. 139 2928 2017.
ISSN: ESSN 1520-5126
PubMed: 28170240
DOI: 10.1021/JACS.7B00184