Lead in PDB 5u88: Crystal Structure of A Merb-Triimethyllead Complex.

All present enzymatic activity of Crystal Structure of A Merb-Triimethyllead Complex.:
4.99.1.2;

The structure of Crystal Structure of A Merb-Triimethyllead Complex., PDB code: 5u88 was solved by H.M.Wahba, M.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.11 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.467, 88.789, 54.734, 90.00, 97.87, 90.00
R / Rfree (%)	17.6 / 21.8

The binding sites of Lead atom in the Crystal Structure of A Merb-Triimethyllead Complex. (pdb code 5u88). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 2 binding sites of Lead where determined in the Crystal Structure of A Merb-Triimethyllead Complex., PDB code: 5u88:
Jump to Lead binding site number: 1; 2;

Lead binding site 1 out of 2 in the Crystal Structure of A Merb-Triimethyllead Complex.


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 Merb-Triimethyllead Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb301 b:55.5 occ:0.68 PB1 A:ZN9301 0.0 55.5 0.7 C2 A:ZN9301 2.2 57.7 0.7 C3 A:ZN9301 2.2 64.6 0.7 C1 A:ZN9301 2.2 59.1 0.7 H4 A:ZN9301 2.7 69.2 0.7 H6 A:ZN9301 2.7 69.2 0.7 H5 A:ZN9301 2.7 69.2 0.7 H9 A:ZN9301 2.7 77.5 0.7 H2 A:ZN9301 2.7 70.9 0.7 H7 A:ZN9301 2.7 77.5 0.7 H1 A:ZN9301 2.7 70.9 0.7 H8 A:ZN9301 2.7 77.5 0.7 H3 A:ZN9301 2.7 70.9 0.7 OD1 A:ASP99 2.7 27.4 1.0 CG A:ASP99 3.8 31.2 1.0 HE1 A:PHE103 4.0 29.5 1.0 HZ A:PHE103 4.3 25.8 1.0 OD2 A:ASP99 4.3 37.8 1.0 HA A:ASP99 4.5 27.6 1.0 HA3 A:GLY75 4.5 23.7 1.0 CE1 A:PHE103 4.7 24.6 1.0 HD12 A:ILE102 4.8 28.9 1.0 CZ A:PHE103 4.8 21.5 1.0 HD13 A:ILE102 4.8 28.9 1.0 HA2 A:GLY75 4.8 23.7 1.0 HE2 A:PHE158 4.9 38.0 1.0 CB A:ASP99 5.0 19.4 1.0 HD22 A:LEU10 5.0 35.1 1.0

Lead binding site 2 out of 2 in the Crystal Structure of A Merb-Triimethyllead Complex.


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 Merb-Triimethyllead Complex. within 5.0Å range: probe atom residue distance (Å) B Occ B:Pb301 b:78.7 occ:0.68 PB1 B:ZN9301 0.0 78.7 0.7 C2 B:ZN9301 2.2 81.9 0.7 C3 B:ZN9301 2.2 81.8 0.7 C1 B:ZN9301 2.2 82.1 0.7 H6 B:ZN9301 2.7 98.3 0.7 H4 B:ZN9301 2.7 98.3 0.7 H5 B:ZN9301 2.7 98.3 0.7 H8 B:ZN9301 2.7 98.2 0.7 H9 B:ZN9301 2.7 98.2 0.7 H7 B:ZN9301 2.7 98.2 0.7 H3 B:ZN9301 2.7 98.5 0.7 H2 B:ZN9301 2.7 98.5 0.7 H1 B:ZN9301 2.7 98.5 0.7 OD1 B:ASP99 2.7 29.9 1.0 CG B:ASP99 3.8 35.7 1.0 OD2 B:ASP99 4.2 40.5 1.0 HE1 B:PHE103 4.5 38.9 1.0 HZ B:PHE103 4.5 33.2 1.0 HG21 B:VAL154 4.6 44.6 1.0 HA2 B:GLY75 4.6 29.8 1.0 HA3 B:GLY75 4.6 29.8 1.0 HA B:ASP99 4.7 32.5 1.0 HD22 B:LEU10 4.7 41.0 1.0 HD12 B:ILE102 4.9 30.8 1.0 HE2 B:PHE158 4.9 27.9 1.0 HE3 B:TRP95 5.0 29.7 1.0

H.M.Wahba, M.J.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski. Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase Merb Provide New Insights Into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc. V. 139 910 2017.
ISSN: ESSN 1520-5126
PubMed: 27989130
DOI: 10.1021/JACS.6B11327