Lead in PDB 7n2z: Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site

The structure of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site, PDB code: 7n2z was solved by L.Ruckthong, J.A.Stuckey, V.L.Pecoraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.02 / 1.29
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	38.13, 38.13, 139.957, 90, 90, 120
R / Rfree (%)	16.4 / 17.2

The structure of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Lead atom in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site (pdb code 7n2z). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site, PDB code: 7n2z:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb102 b:23.0 occ:0.12 PB A:PB102 0.0 23.0 0.1 PB A:PB102 1.0 16.0 0.1 SG A:CYS16 2.3 18.2 0.4 SG A:CYS16 2.6 25.1 0.4 CB A:CYS16 3.3 15.6 0.4 CB A:CYS16 3.4 20.6 0.4 CA A:CYS16 3.9 16.9 0.4 CA A:CYS16 4.0 19.3 0.4 N A:CYS16 4.8 18.0 1.0 CD2 A:LEU19 4.8 26.6 1.0

Lead binding site 2 out of 4 in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb102 b:16.0 occ:0.10 PB A:PB102 0.0 16.0 0.1 PB A:PB102 1.0 23.0 0.1 SG A:CYS16 2.6 18.2 0.4 SG A:CYS16 3.4 25.1 0.4 CB A:CYS16 3.7 15.6 0.4 CB A:CYS16 3.8 20.6 0.4 CD2 A:LEU19 4.0 26.6 1.0 CA A:CYS16 4.0 16.9 0.4 CA A:CYS16 4.1 19.3 0.4 O A:CYS16 4.8 20.1 1.0 CB A:LEU19 4.8 19.0 1.0 CG A:LEU19 4.9 23.9 1.0 C A:CYS16 5.0 20.7 1.0

Lead binding site 3 out of 4 in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb103 b:18.6 occ:0.21 PB A:PB103 0.0 18.6 0.2 PB A:PB103 1.2 14.6 0.0 SG A:CYS23 2.2 24.1 0.2 SG A:CYS23 2.6 18.4 0.6 CB A:CYS23 3.4 15.6 0.6 CB A:CYS23 3.5 19.7 0.2 CA A:CYS23 4.1 18.4 0.5 CA A:CYS23 4.1 16.5 0.5 CD1 A:LEU26 4.5 18.4 0.5 CD2 A:LEU26 4.7 25.1 0.5

Lead binding site 4 out of 4 in the Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Crystal Structure of A De Novo Three-Stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) Complexes in the Dual Tris- Thiolate Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb103 b:14.6 occ:0.02 PB A:PB103 0.0 14.6 0.0 PB A:PB103 1.2 18.6 0.2 SG A:CYS23 2.6 24.1 0.2 SG A:CYS23 3.5 18.4 0.6 CD2 A:LEU26 3.7 25.1 0.5 CD1 A:LEU26 3.8 18.4 0.5 CB A:CYS23 3.9 15.6 0.6 CB A:CYS23 4.0 19.7 0.2 CA A:CYS23 4.3 18.4 0.5 CA A:CYS23 4.3 16.5 0.5 CB A:LEU26 4.7 17.6 0.5 CG A:LEU26 4.8 23.9 0.5 CB A:LEU26 4.8 14.9 0.5 CG A:LEU26 4.9 16.9 0.5 O A:CYS23 5.0 17.9 1.0

T.B.J.Pinter, L.Ruckthong, J.A.Stuckey, A.Deb, J.E.Penner-Hahn, V.L.Pecoraro. Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc. V. 143 15271 2021.
ISSN: ESSN 1520-5126
PubMed: 34494819
DOI: 10.1021/JACS.1C06461