Lead in PDB 3twy: Rat Pkc C2 Domain Bound to Pb

All present enzymatic activity of Rat Pkc C2 Domain Bound to Pb:
2.7.11.13;

The structure of Rat Pkc C2 Domain Bound to Pb, PDB code: 3twy was solved by P.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.08 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.290, 58.290, 87.980, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 21.9

The binding sites of Lead atom in the Rat Pkc C2 Domain Bound to Pb (pdb code 3twy). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 2 binding sites of Lead where determined in the Rat Pkc C2 Domain Bound to Pb, PDB code: 3twy:
Jump to Lead binding site number: 1; 2;

Lead binding site 1 out of 2 in the Rat Pkc C2 Domain Bound to Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Rat Pkc C2 Domain Bound to Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1 b:15.8 occ:1.00 OD1 A:ASP246 2.5 17.5 1.0 OD2 A:ASP193 2.6 17.4 1.0 OD2 A:ASP246 2.6 18.2 1.0 OD1 A:ASP187 2.7 18.6 1.0 OD2 A:ASP187 2.7 18.5 1.0 O A:TRP247 2.7 14.2 1.0 OD1 A:ASP248 2.7 25.6 1.0 CG A:ASP246 2.9 17.4 1.0 CG A:ASP187 3.0 17.2 1.0 O A:HOH85 3.0 34.1 1.0 O A:HOH26 3.3 26.3 1.0 CG A:ASP193 3.6 15.1 1.0 CG A:ASP248 3.6 21.0 1.0 C A:TRP247 3.8 14.5 1.0 CA A:ASP248 4.0 15.8 1.0 CB A:ASP193 4.0 14.2 1.0 PB A:PB2 4.1 24.6 1.0 N A:ASP193 4.2 13.2 1.0 OD2 A:ASP248 4.3 23.3 1.0 N A:ASP248 4.3 14.4 1.0 CB A:ASP248 4.4 17.8 1.0 O A:HOH47 4.4 31.9 1.0 CB A:ASP187 4.4 17.7 1.0 CB A:ASP246 4.4 15.5 1.0 OD1 A:ASP193 4.6 16.4 1.0 N A:TRP247 4.6 13.8 1.0 O A:HOH24 4.6 19.6 1.0 CA A:ASP193 4.7 13.2 1.0 C A:ASP246 4.8 13.8 1.0 O A:HOH56 4.8 28.1 1.0 C A:SER192 4.8 13.7 1.0 CA A:SER192 4.9 14.5 1.0 CA A:TRP247 4.9 14.4 1.0 O A:HOH54 5.0 25.1 1.0

Lead binding site 2 out of 2 in the Rat Pkc C2 Domain Bound to Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Rat Pkc C2 Domain Bound to Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb2 b:24.6 occ:1.00 OD2 A:ASP248 2.3 23.3 1.0 OD2 A:ASP246 2.4 18.2 1.0 OD2 A:ASP254 2.5 26.7 1.0 OD1 A:ASP254 2.6 27.5 1.0 O A:HOH76 2.6 28.3 1.0 OD1 A:ASP248 2.8 25.6 1.0 CG A:ASP248 2.9 21.0 1.0 CG A:ASP254 2.9 26.3 1.0 OD1 A:ASP187 3.4 18.6 1.0 O A:HOH47 3.5 31.9 1.0 CG A:ASP246 3.5 17.4 1.0 O A:MET186 3.6 18.8 1.0 CB A:MET186 4.1 20.0 1.0 PB A:PB1 4.1 15.8 1.0 CB A:ASP246 4.2 15.5 1.0 C A:MET186 4.3 18.6 1.0 OG1 A:THR251 4.3 18.8 1.0 CB A:ASP248 4.4 17.8 1.0 CB A:ASP254 4.4 22.1 1.0 OD1 A:ASP246 4.5 17.5 1.0 CG A:ASP187 4.6 17.2 1.0 N A:ASP254 4.8 17.1 1.0 CE A:MET186 4.8 22.6 1.0 CA A:MET186 4.8 19.1 1.0 O A:ARG252 4.9 16.8 1.0 O A:ASP246 5.0 13.2 1.0 O A:HOH106 5.0 38.6 1.0

K.A.Morales, M.Lasagna, A.V.Gribenko, Y.Yoon, G.D.Reinhart, J.C.Lee, W.Cho, P.Li, T.I.Igumenova. PB2+ As Modulator of Protein-Membrane Interactions. J.Am.Chem.Soc. V. 133 10599 2011.
ISSN: ISSN 0002-7863
PubMed: 21615172
DOI: 10.1021/JA2032772