Lead in PDB 3qjk: Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead

The structure of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead, PDB code: 3qjk was solved by S.Kumar, S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.08 / 3.00
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	95.264, 95.264, 64.597, 90.00, 90.00, 120.00
R / Rfree (%)	25.2 / 28.3

The binding sites of Lead atom in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead (pdb code 3qjk). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead, PDB code: 3qjk:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb201 b:0.7 occ:0.50 O A:ALA16 2.1 76.3 1.0 OD1 A:ASP10 2.4 74.3 1.0 OD1 A:ASN12 2.4 75.3 1.0 OD1 A:ASP14 2.8 78.3 1.0 OE1 A:GLU21 2.8 72.4 1.0 OE2 A:GLU21 3.0 73.0 1.0 CD A:GLU21 3.3 71.8 1.0 C A:ALA16 3.3 74.8 1.0 CG A:ASP14 3.4 77.1 1.0 CG A:ASP10 3.5 74.1 1.0 CG A:ASN12 3.5 74.4 1.0 OD2 A:ASP14 3.7 76.2 1.0 N A:ASP14 4.0 75.2 1.0 ND2 A:ASN12 4.1 73.7 1.0 N A:ALA16 4.1 75.5 1.0 CA A:ALA16 4.2 75.2 1.0 OD2 A:ASP10 4.3 75.3 1.0 CA A:ASP10 4.3 72.5 1.0 CB A:ASP10 4.3 72.7 1.0 N A:VAL17 4.3 74.9 1.0 N A:ASN12 4.4 74.0 1.0 CA A:VAL17 4.4 73.0 1.0 N A:SER18 4.4 72.4 1.0 CB A:ASP14 4.5 74.7 1.0 N A:GLY13 4.5 76.0 1.0 C A:ASP10 4.6 73.6 1.0 CB A:ALA16 4.6 76.0 1.0 CA A:ASP14 4.6 73.8 1.0 CG A:GLU21 4.7 72.0 1.0 CB A:ASN12 4.7 73.7 1.0 N A:VAL11 4.8 73.7 1.0 N A:GLY15 4.8 72.9 1.0 C A:ASN12 4.8 75.9 1.0 C A:VAL17 4.9 73.8 1.0 C A:ASP14 4.9 73.3 1.0 CA A:ASN12 4.9 73.5 1.0 C A:GLY13 5.0 74.7 1.0

Lead binding site 2 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb202 b:0.9 occ:0.50 OE2 A:GLU57 2.3 78.2 1.0 OE1 A:GLU57 2.5 77.8 1.0 OD1 A:ASN50 2.5 79.2 1.0 O A:GLU52 2.6 75.4 1.0 CD A:GLU57 2.6 77.0 1.0 OD1 A:ASP46 2.9 78.4 1.0 OD1 A:ASP48 3.0 78.1 1.0 CG A:ASN50 3.4 79.0 1.0 OD2 A:ASP48 3.4 82.9 1.0 CG A:ASP48 3.5 82.2 1.0 ND2 A:ASN50 3.6 81.0 1.0 CG A:ASP46 3.7 76.3 1.0 C A:GLU52 3.8 76.3 1.0 OD2 A:ASP54 4.0 75.0 1.0 CG A:GLU57 4.1 76.7 1.0 OD2 A:ASP46 4.3 76.0 1.0 CA A:ASP46 4.4 72.8 1.0 CA A:ILE53 4.4 75.9 1.0 N A:GLU52 4.5 77.7 1.0 N A:ASP54 4.5 76.8 1.0 CB A:ASP46 4.5 74.4 1.0 N A:ASP48 4.5 76.7 1.0 N A:ASN50 4.5 81.1 1.0 N A:ILE53 4.6 76.7 1.0 C A:ASP46 4.7 76.2 1.0 CG A:ASP54 4.7 77.0 1.0 CB A:ASN50 4.7 80.5 1.0 CB A:ASP48 4.7 80.2 1.0 N A:GLY49 4.7 79.7 1.0 CA A:GLU52 4.8 77.8 1.0 CA A:ASP48 4.9 77.9 1.0 N A:ALA47 4.9 78.1 1.0 C A:ASP48 5.0 80.0 1.0 C A:ILE53 5.0 77.8 1.0

Lead binding site 3 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead within 5.0Å range: probe atom residue distance (Å) B Occ B:Pb201 b:0.1 occ:0.50 O B:ALA16 2.2 75.7 1.0 OD1 B:ASP10 2.4 72.0 1.0 OD1 B:ASN12 2.4 73.1 1.0 OE1 B:GLU21 2.8 72.0 1.0 OE2 B:GLU21 2.8 73.5 1.0 OD1 B:ASP14 2.9 77.6 1.0 CD B:GLU21 3.1 72.2 1.0 CG B:ASP14 3.4 76.9 1.0 C B:ALA16 3.5 74.7 1.0 CG B:ASN12 3.5 72.8 1.0 CG B:ASP10 3.5 72.4 1.0 OD2 B:ASP14 3.6 77.4 1.0 ND2 B:ASN12 4.0 71.8 1.0 N B:ASP14 4.2 72.4 1.0 CA B:ASP10 4.2 71.3 1.0 N B:ALA16 4.3 73.9 1.0 CB B:ASP10 4.3 71.8 1.0 CA B:ALA16 4.3 75.8 1.0 N B:SER18 4.4 71.8 1.0 N B:VAL17 4.4 74.1 1.0 OD2 B:ASP10 4.4 73.7 1.0 CA B:VAL17 4.4 72.8 1.0 N B:ASN12 4.5 70.2 1.0 CG B:GLU21 4.5 71.9 1.0 C B:ASP10 4.6 70.9 1.0 CB B:ASP14 4.6 73.6 1.0 N B:VAL11 4.7 70.5 1.0 CB B:ALA16 4.7 76.2 1.0 CB B:ASN12 4.7 72.8 1.0 N B:GLY13 4.8 74.0 1.0 CA B:ASP14 4.8 73.1 1.0 C B:VAL17 4.8 73.0 1.0 CA B:ASN12 5.0 71.3 1.0 N B:GLY15 5.0 71.7 1.0 OG B:SER18 5.0 68.8 1.0 C B:ASN12 5.0 74.7 1.0

Lead binding site 4 out of 4 in the Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead within 5.0Å range: probe atom residue distance (Å) B Occ B:Pb202 b:0.5 occ:0.50 O B:GLU52 2.4 77.2 1.0 OD1 B:ASN50 2.5 81.1 1.0 OE2 B:GLU57 2.6 76.6 1.0 OE1 B:GLU57 2.7 76.5 1.0 OD1 B:ASP46 2.9 77.1 1.0 OD1 B:ASP48 2.9 79.4 1.0 CD B:GLU57 3.0 76.5 1.0 CG B:ASN50 3.1 79.9 1.0 OD2 B:ASP48 3.1 82.8 1.0 CG B:ASP48 3.2 82.7 1.0 ND2 B:ASN50 3.2 80.8 1.0 CG B:ASP46 3.6 75.7 1.0 C B:GLU52 3.6 77.4 1.0 OD2 B:ASP46 4.1 76.4 1.0 OD2 B:ASP54 4.2 76.2 1.0 CB B:ASN50 4.3 79.8 1.0 N B:ASN50 4.3 80.5 1.0 CA B:ILE53 4.3 76.0 1.0 N B:GLU52 4.4 79.0 1.0 CG B:GLU57 4.4 76.2 1.0 CA B:ASP46 4.4 72.4 1.0 N B:ASP48 4.4 76.5 1.0 N B:ILE53 4.5 76.7 1.0 CB B:ASP46 4.5 73.2 1.0 CB B:ASP48 4.5 80.0 1.0 N B:ASP54 4.5 77.9 1.0 CA B:GLU52 4.6 78.9 1.0 C B:ASP46 4.7 75.5 1.0 N B:GLY49 4.7 78.7 1.0 CA B:ASP48 4.8 76.6 1.0 CA B:ASN50 4.8 82.0 1.0 C B:ASP48 4.9 78.8 1.0 CG B:ASP54 4.9 78.1 1.0 N B:GLY51 4.9 80.1 1.0 C B:ILE53 4.9 78.8 1.0 N B:ALA47 5.0 76.6 1.0

S.Kumar, S.Gourinath. Structure of Calcium Binding Protein-1 From Entamoeba Histolytica in Complex with Lead To Be Published.