Lead in PDB 6uwa: Mouse Pkc C1B and C2 Domains

All present enzymatic activity of Mouse Pkc C1B and C2 Domains:
2.7.11.13;

The structure of Mouse Pkc C1B and C2 Domains, PDB code: 6uwa was solved by A.Aggarwal, J.Mire, J.C.Sacchettini, T.Igumenova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.39 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.041, 58.974, 104.954, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 15.3

The structure of Mouse Pkc C1B and C2 Domains also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Lead atom in the Mouse Pkc C1B and C2 Domains (pdb code 6uwa). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the Mouse Pkc C1B and C2 Domains, PDB code: 6uwa:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the Mouse Pkc C1B and C2 Domains


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Mouse Pkc C1B and C2 Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb301 b:7.6 occ:0.95 OD1 A:ASP246 2.5 8.2 1.0 OD2 A:ASP187 2.5 9.0 1.0 OD2 A:ASP193 2.5 10.4 1.0 O A:TRP247 2.7 7.4 1.0 OD1 A:ASP187 2.7 9.0 1.0 OD1 A:ASP248 2.8 9.6 1.0 OD2 A:ASP246 2.8 8.6 1.0 CG A:ASP187 3.0 7.9 1.0 CG A:ASP246 3.0 7.2 1.0 CG A:ASP193 3.6 8.0 1.0 C A:TRP247 3.7 6.7 1.0 CG A:ASP248 3.8 8.5 1.0 CB A:ASP193 4.0 7.2 1.0 O A:HOH406 4.0 15.1 1.0 PB A:PB302 4.0 7.7 0.9 N A:ASP193 4.2 6.5 1.0 CA A:ASP248 4.2 7.4 1.0 N A:ASP248 4.3 7.1 1.0 O A:HOH484 4.4 15.7 1.0 CB A:ASP187 4.4 8.3 1.0 CB A:ASP246 4.5 7.0 1.0 OD2 A:ASP248 4.5 8.3 1.0 N A:TRP247 4.6 6.4 1.0 CB A:ASP248 4.6 6.8 1.0 OD1 A:ASP193 4.6 9.7 1.0 C A:ASP246 4.7 6.2 1.0 CA A:ASP193 4.7 6.4 1.0 C A:SER192 4.8 6.7 1.0 CA A:TRP247 4.8 6.8 1.0 CA A:SER192 4.8 6.6 1.0 O A:HOH499 4.9 26.6 1.0 O A:ASP246 5.0 7.2 1.0 O4 A:CIT308 5.0 14.5 1.0

Lead binding site 2 out of 4 in the Mouse Pkc C1B and C2 Domains


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Mouse Pkc C1B and C2 Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb302 b:7.7 occ:0.93 O6 A:CIT308 2.5 11.7 1.0 OD1 A:ASP248 2.5 9.6 1.0 OD2 A:ASP248 2.6 8.3 1.0 OD1 A:ASP187 2.6 9.0 1.0 O7 A:CIT308 2.7 11.4 1.0 OD2 A:ASP254 2.8 8.6 1.0 O2 A:CIT308 2.8 12.1 1.0 OD2 A:ASP246 2.8 8.6 1.0 O A:MET186 2.8 8.6 1.0 CG A:ASP248 2.9 8.5 1.0 C6 A:CIT308 3.4 10.8 1.0 C1 A:CIT308 3.5 11.7 1.0 C3 A:CIT308 3.5 11.5 1.0 C A:MET186 3.7 7.3 1.0 CG A:ASP254 3.7 7.0 1.0 CG A:ASP187 3.8 7.9 1.0 PB A:PB301 4.0 7.6 0.9 PB A:PB304 4.1 7.5 0.9 CG A:ASP246 4.1 7.2 1.0 CB A:MET186 4.1 7.5 1.0 C2 A:CIT308 4.1 11.2 1.0 PB A:PB303 4.3 8.3 0.9 O1 A:CIT308 4.3 11.1 1.0 CA A:ASP187 4.3 8.2 1.0 N A:ASP187 4.3 7.3 1.0 OD1 A:ASP254 4.3 7.8 1.0 CB A:ASP248 4.4 6.8 1.0 O4 A:CIT308 4.4 14.5 1.0 O A:HOH406 4.5 15.1 1.0 O5 A:CIT308 4.5 13.2 1.0 OD2 A:ASP187 4.5 9.0 1.0 CB A:ASP254 4.5 7.0 1.0 CA A:MET186 4.6 7.9 1.0 CB A:ASP187 4.6 8.3 1.0 OD1 A:ASP246 4.8 8.2 1.0 C4 A:CIT308 4.9 13.4 1.0

Lead binding site 3 out of 4 in the Mouse Pkc C1B and C2 Domains


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Mouse Pkc C1B and C2 Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb303 b:8.3 occ:0.91 O2 A:CIT308 2.4 12.1 1.0 O2 A:CIT309 2.5 8.6 1.0 O1 A:CIT309 2.6 9.1 1.0 OD2 A:ASP254 2.6 8.6 1.0 O1 A:CIT308 2.6 11.1 1.0 C1 A:CIT308 2.9 11.7 1.0 C1 A:CIT309 2.9 8.5 1.0 SG A:CYS143 3.4 7.4 1.0 SG A:CYS118 3.4 7.8 1.0 CG A:ASP254 3.4 7.0 1.0 CB A:CYS118 3.7 8.4 1.0 O A:MET186 3.9 8.6 1.0 OD1 A:ASP254 3.9 7.8 1.0 ZN A:ZN310 3.9 7.0 1.0 O A:HOH539 4.1 9.9 1.0 PB A:PB304 4.2 7.5 0.9 PB A:PB302 4.3 7.7 0.9 C2 A:CIT308 4.4 11.2 1.0 C2 A:CIT309 4.4 7.8 1.0 CB A:ASP254 4.5 7.0 1.0 ND1 A:HIS140 4.7 7.3 1.0 CG A:GLN142 4.8 9.1 1.0 SD A:MET186 4.9 10.4 1.0 C A:MET186 5.0 7.3 1.0 O A:HOH469 5.0 13.6 1.0

Lead binding site 4 out of 4 in the Mouse Pkc C1B and C2 Domains


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Mouse Pkc C1B and C2 Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb304 b:7.5 occ:0.94 OD1 A:ASP254 2.4 7.8 1.0 O6 A:CIT309 2.4 8.0 1.0 O A:ARG252 2.5 8.0 1.0 O2 A:CIT309 2.7 8.6 1.0 O7 A:CIT309 2.7 8.0 1.0 OD2 A:ASP248 2.8 8.3 1.0 OG1 A:THR251 3.1 10.1 1.0 CG A:ASP254 3.1 7.0 1.0 C6 A:CIT309 3.2 7.4 1.0 OD2 A:ASP254 3.3 8.6 1.0 O6 A:CIT308 3.3 11.7 1.0 O2 A:CIT308 3.3 12.1 1.0 C3 A:CIT309 3.5 7.8 1.0 C1 A:CIT309 3.6 8.5 1.0 C A:ARG252 3.6 7.0 1.0 CG A:ASP248 3.7 8.5 1.0 C6 A:CIT308 3.9 10.8 1.0 CB A:THR251 4.0 9.6 1.0 O5 A:CIT308 4.0 13.2 1.0 PB A:PB302 4.1 7.7 0.9 N A:ARG252 4.1 7.3 1.0 C2 A:CIT309 4.1 7.8 1.0 CB A:ASP248 4.2 6.8 1.0 PB A:PB303 4.2 8.3 0.9 O4 A:CIT309 4.4 11.1 1.0 O5 A:CIT309 4.4 7.8 1.0 CA A:ARG252 4.4 6.8 1.0 C A:THR251 4.4 7.6 1.0 C1 A:CIT308 4.5 11.7 1.0 O A:HOH460 4.5 9.1 1.0 O1 A:CIT309 4.6 9.1 1.0 CB A:ASP254 4.6 7.0 1.0 OD1 A:ASP248 4.6 9.6 1.0 C A:ASN253 4.7 6.4 1.0 N A:ASN253 4.7 6.8 1.0 N A:ASP254 4.7 6.1 1.0 O A:HOH532 4.7 23.0 1.0 CB A:ARG252 4.8 7.7 1.0 CA A:ASN253 4.8 7.3 1.0 C4 A:CIT309 4.8 8.4 1.0 CA A:THR251 4.8 8.5 1.0 O A:THR251 4.9 8.4 1.0 O A:ASN253 4.9 6.6 1.0

T.Igumenova, A.Aggarwal, J.Mire, J.C.Sacchettini, T.Igumenova. N/A N/A.