Lead in PDB 2v01: Recombinant Vertebrate Calmodulin Complexed with Pb

The structure of Recombinant Vertebrate Calmodulin Complexed with Pb, PDB code: 2v01 was solved by P.Kursula, V.Majava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	24.580, 29.950, 53.610, 88.57, 87.03, 82.95
R / Rfree (%)	18.8 / 25.3

The structure of Recombinant Vertebrate Calmodulin Complexed with Pb also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Lead atom in the Recombinant Vertebrate Calmodulin Complexed with Pb (pdb code 2v01). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 8 binding sites of Lead where determined in the Recombinant Vertebrate Calmodulin Complexed with Pb, PDB code: 2v01:
Jump to Lead binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Lead binding site 1 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1146 b:46.3 occ:1.00 OD2 A:ASP122 2.0 47.4 1.0 O A:HOH2048 2.2 47.9 1.0 OD2 A:ASP118 2.5 43.3 1.0 OD1 A:ASP118 2.7 46.1 1.0 CG A:ASP122 2.7 45.7 1.0 OD1 A:ASP122 2.7 47.8 1.0 CG A:ASP118 2.9 44.0 1.0 CB A:ASP122 4.2 44.9 1.0 CB A:ALA102 4.3 46.0 1.0 CB A:ASP118 4.5 41.5 1.0 O A:HOH2052 4.6 46.1 1.0 O A:ASP118 4.7 41.6 1.0 O A:HOH2049 4.8 43.0 1.0 O A:HOH2047 4.8 41.3 1.0

Lead binding site 2 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1147 b:45.5 occ:1.00 OE2 A:GLU31 2.0 40.4 1.0 OD1 A:ASP22 2.0 43.4 1.0 OD1 A:ASP20 2.1 43.7 1.0 O A:THR26 2.6 41.9 1.0 OD1 A:ASP24 2.6 44.3 1.0 CD A:GLU31 2.7 43.1 1.0 OE1 A:GLU31 2.7 43.7 1.0 CG A:ASP22 2.9 45.1 1.0 OD2 A:ASP22 3.1 50.7 1.0 CG A:ASP20 3.2 45.3 1.0 CG A:ASP24 3.5 44.2 1.0 OG1 A:THR26 3.6 46.2 1.0 C A:THR26 3.7 43.9 1.0 OD2 A:ASP20 4.0 47.7 1.0 OD2 A:ASP24 4.1 44.3 1.0 CA A:ASP20 4.1 46.6 1.0 CB A:ASP20 4.2 46.1 1.0 CG A:GLU31 4.2 43.1 1.0 CG2 A:THR28 4.3 41.1 1.0 CB A:ASP22 4.3 45.1 1.0 N A:ASP22 4.3 45.5 1.0 N A:ASP24 4.4 41.9 1.0 CB A:ASP24 4.4 42.3 1.0 N A:THR26 4.5 42.1 1.0 C A:ASP20 4.5 46.4 1.0 CA A:THR26 4.6 43.1 1.0 N A:ILE27 4.6 43.4 1.0 CA A:ILE27 4.6 44.0 1.0 N A:LYS21 4.7 46.6 1.0 CB A:THR26 4.7 43.8 1.0 CA A:ASP22 4.7 45.1 1.0 N A:GLY23 4.8 43.4 1.0 O A:HOH2015 4.8 32.0 1.0 CA A:ASP24 4.8 42.2 1.0 N A:THR28 4.9 44.5 1.0 N A:GLY25 5.0 42.9 1.0

Lead binding site 3 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1148 b:45.7 occ:1.00 OD1 A:ASP56 2.0 49.7 1.0 OD1 A:ASP58 2.6 45.3 1.0 OE2 A:GLU67 2.7 42.7 1.0 OE1 A:GLU67 2.7 43.2 1.0 OD1 A:ASN60 2.7 54.2 1.0 O A:THR62 2.7 45.4 1.0 CG A:ASP58 3.0 47.7 1.0 OD2 A:ASP58 3.0 48.9 1.0 CD A:GLU67 3.1 42.6 1.0 CG A:ASP56 3.2 48.7 1.0 CG A:ASN60 3.4 49.6 1.0 ND2 A:ASN60 3.6 50.5 1.0 C A:THR62 3.8 45.2 1.0 OD2 A:ASP56 4.1 49.7 1.0 CB A:ASP56 4.2 46.8 1.0 CB A:ASP58 4.2 46.6 1.0 N A:ASP64 4.3 43.5 1.0 CA A:ILE63 4.4 44.0 1.0 CA A:ASP56 4.4 46.3 1.0 PB A:PB1153 4.4 47.9 1.0 N A:ASP58 4.4 46.9 1.0 N A:ILE63 4.5 44.1 1.0 N A:ASN60 4.5 46.6 1.0 N A:GLY59 4.5 46.9 1.0 CG A:GLU67 4.6 42.6 1.0 OG1 A:THR62 4.6 41.9 1.0 CG A:ASP64 4.6 45.5 1.0 N A:THR62 4.6 46.1 1.0 C A:ILE63 4.6 43.8 1.0 CB A:ASN60 4.6 46.7 1.0 C A:ASP56 4.7 46.4 1.0 OD2 A:ASP64 4.7 50.0 1.0 CA A:ASP58 4.7 47.0 1.0 OD1 A:ASP64 4.8 47.6 1.0 CA A:THR62 4.8 45.5 1.0 CB A:ASP64 4.9 44.4 1.0 N A:ALA57 4.9 46.7 1.0 C A:ASP58 4.9 47.0 1.0

Lead binding site 4 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1149 b:46.7 occ:1.00 O A:HOH2037 2.0 54.7 1.0 OD1 A:ASP93 2.0 44.9 1.0 O A:TYR99 2.0 46.9 1.0 OE1 A:GLU104 2.6 46.7 1.0 OD1 A:ASP95 2.7 50.9 1.0 OD1 A:ASN97 2.7 48.4 1.0 OE2 A:GLU104 2.8 45.9 1.0 CD A:GLU104 3.0 45.7 1.0 CG A:ASP93 3.2 44.9 1.0 C A:TYR99 3.3 46.5 1.0 CG A:ASN97 3.4 47.8 1.0 CG A:ASP95 3.4 49.6 1.0 OD2 A:ASP95 3.6 49.4 1.0 ND2 A:ASN97 3.6 47.8 1.0 OD2 A:ASP93 3.9 43.7 1.0 N A:TYR99 4.2 46.9 1.0 N A:ILE100 4.2 46.2 1.0 CA A:TYR99 4.2 46.7 1.0 CB A:ASP93 4.2 45.7 1.0 CA A:ASP93 4.3 45.6 1.0 N A:LYS94 4.3 47.3 1.0 CA A:ILE100 4.4 45.8 1.0 N A:ASP95 4.4 48.6 1.0 N A:ASN97 4.5 48.0 1.0 N A:SER101 4.5 45.7 1.0 CG A:GLU104 4.5 44.5 1.0 CB A:ASN97 4.5 47.8 1.0 C A:ASP93 4.6 46.5 1.0 CB A:TYR99 4.6 46.8 1.0 CB A:ASP95 4.8 48.7 1.0 N A:GLY96 4.8 48.6 1.0 C A:ILE100 4.9 45.6 1.0 OG A:SER101 4.9 45.9 1.0 CA A:ASN97 4.9 47.9 1.0 CA A:ASP95 5.0 48.6 1.0

Lead binding site 5 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 5 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1150 b:46.4 occ:1.00 OD1 A:ASP129 2.0 46.8 1.0 OD2 A:ASP131 2.0 44.6 1.0 OD2 A:ASP133 2.0 38.1 1.0 O A:GLN135 2.7 47.3 1.0 OE1 A:GLU140 2.9 47.8 1.0 CG A:ASP133 2.9 44.1 1.0 CG A:ASP131 3.0 47.0 1.0 OE2 A:GLU140 3.0 45.4 1.0 CG A:ASP129 3.2 49.1 1.0 OD1 A:ASP133 3.3 43.8 1.0 OD1 A:ASP131 3.3 47.1 1.0 CD A:GLU140 3.3 46.2 1.0 ND2 A:ASN137 3.7 46.6 1.0 C A:GLN135 3.9 47.1 1.0 CA A:ASP129 4.0 48.1 1.0 OD2 A:ASP129 4.0 50.6 1.0 N A:ASN137 4.0 45.5 1.0 CB A:ASP129 4.0 48.1 1.0 CG A:ASN137 4.3 46.1 1.0 N A:ASP131 4.3 47.1 1.0 CB A:ASP133 4.3 45.4 1.0 CB A:ASP131 4.3 46.9 1.0 CA A:VAL136 4.4 46.4 1.0 C A:ASP129 4.4 47.8 1.0 CB A:ASN137 4.5 45.4 1.0 N A:ILE130 4.5 47.6 1.0 N A:ASP133 4.5 45.7 1.0 N A:VAL136 4.6 46.6 1.0 N A:GLY132 4.6 46.4 1.0 C A:VAL136 4.6 46.0 1.0 CA A:ASP131 4.7 46.9 1.0 N A:GLN135 4.7 47.1 1.0 CG A:GLU140 4.8 46.3 1.0 CA A:ASN137 4.9 45.3 1.0 C A:ASP131 4.9 46.6 1.0 CA A:GLN135 4.9 47.3 1.0 CA A:ASP133 5.0 45.6 1.0

Lead binding site 6 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 6 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1151 b:52.4 occ:1.00 OD2 A:ASP58 3.5 48.9 1.0 CB A:ASP58 3.9 46.6 1.0 CG A:ASP58 4.1 47.7 1.0 PB A:PB1153 4.3 47.9 1.0

Lead binding site 7 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 7 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1152 b:45.6 occ:1.00 OE1 A:GLU14 2.7 37.0 1.0 CD A:GLU14 3.5 38.9 1.0 OE2 A:GLU14 3.7 37.0 1.0 O A:HOH2005 4.4 46.8 1.0 CG A:GLU14 4.9 40.1 1.0

Lead binding site 8 out of 8 in the Recombinant Vertebrate Calmodulin Complexed with Pb


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 8 of Recombinant Vertebrate Calmodulin Complexed with Pb within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb1153 b:47.9 occ:1.00 OD2 A:ASP64 2.0 50.0 1.0 O A:HOH2028 2.6 35.1 1.0 CG A:ASP64 2.9 45.5 1.0 OD2 A:ASP58 3.0 48.9 1.0 OD1 A:ASP64 3.3 47.6 1.0 OE2 A:GLU67 3.3 42.7 1.0 CD A:GLU67 3.5 42.6 1.0 CG A:ASP58 3.8 47.7 1.0 OE1 A:GLU67 3.9 43.2 1.0 CG A:GLU67 3.9 42.6 1.0 CB A:ASP58 4.1 46.6 1.0 CB A:ASP64 4.3 44.4 1.0 PB A:PB1151 4.3 52.4 1.0 PB A:PB1148 4.4 45.7 1.0 OD1 A:ASP58 4.8 45.3 1.0

P.Kursula, V.Majava. A Structural Insight Into Lead Neurotoxicity and Calmodulin Activation By Heavy Metals. Acta Crystallogr.,Sect.F V. 63 653 2007.
ISSN: ESSN 1744-3091
PubMed: 17671360
DOI: 10.1107/S1744309107034525