Lead in PDB 1xxa: C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative

The structure of C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative, PDB code: 1xxa was solved by G.D.Van Duyne, G.Ghosh, W.K.Maas, P.B.Sigler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.500, 83.800, 217.000, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 33

The binding sites of Lead atom in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative (pdb code 1xxa). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative, PDB code: 1xxa:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:Pb416 b:32.2 occ:0.86 O C:PHE139 2.4 17.4 1.0 O C:ALA136 2.8 25.1 1.0 O C:HOH496 2.9 78.7 0.4 C C:PHE139 3.7 14.3 1.0 O C:PRO135 3.7 23.6 1.0 C C:ALA136 3.8 29.0 1.0 CG C:PRO135 4.1 13.9 1.0 C C:PRO135 4.2 23.4 1.0 CA C:ASN137 4.2 19.1 1.0 CB B:ASN92 4.3 18.5 1.0 N C:PHE139 4.3 31.1 1.0 CB C:PRO135 4.3 10.4 1.0 N C:ASN137 4.4 27.4 1.0 CA C:PHE139 4.6 15.8 1.0 N C:GLY138 4.6 17.4 1.0 N C:THR140 4.6 19.3 1.0 N C:ALA136 4.7 29.4 1.0 OD1 C:ASN137 4.7 28.6 1.0 C C:ASN137 4.7 19.3 1.0 CA C:THR140 4.7 21.9 1.0 CA C:PRO135 4.8 20.1 1.0 CA C:ALA136 4.8 32.7 1.0 CB C:PHE139 4.9 18.2 1.0 ND2 B:ASN92 4.9 23.1 1.0

Lead binding site 2 out of 4 in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:Pb419 b:78.1 occ:0.21 OE1 C:GLU150 3.2 76.8 1.0 O C:HOH459 3.6 51.1 0.6 CD C:GLU150 3.9 78.1 1.0 O C:HOH445 4.2 54.7 1.0 OE2 C:GLU150 4.4 79.8 1.0 O C:HOH494 4.7 69.2 0.7 CG C:GLU150 4.8 68.4 1.0 OE2 C:GLU119 4.9 68.0 1.0 O C:HOH475 4.9 70.8 0.6

Lead binding site 3 out of 4 in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative within 5.0Å range: probe atom residue distance (Å) B Occ D:Pb418 b:50.5 occ:0.33 NZ D:LYS117 2.4 17.7 1.0 O F:HOH481 2.7 65.2 0.5 OD1 F:ASP88 3.0 49.4 1.0 O F:HOH430 3.5 60.2 1.0 CE D:LYS117 3.7 39.4 1.0 O F:ILE89 3.7 56.1 1.0 CG F:ASP88 3.9 56.7 1.0 O F:HOH431 3.9 49.8 1.0 OD2 F:ASP88 4.0 72.0 1.0 CB F:ASP90 4.5 58.8 1.0 C F:ILE89 4.6 51.9 1.0 CG F:ASP90 4.6 64.4 1.0 O D:HOH428 4.6 72.2 1.0 CD D:LYS117 4.8 54.3 1.0 OD1 F:ASP90 4.8 65.3 1.0 OD2 F:ASP90 4.9 66.2 1.0 N F:ILE89 4.9 46.5 1.0 O F:HOH438 4.9 73.1 1.0

Lead binding site 4 out of 4 in the C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of C-Terminal Domain of Escherichia Coli Arginine Repressor/ L- Arginine Complex; Pb Derivative within 5.0Å range: probe atom residue distance (Å) B Occ F:Pb417 b:45.9 occ:0.92 O F:ALA136 2.2 37.5 1.0 O F:PHE139 2.4 38.3 1.0 O E:HOH191 2.9 27.7 1.0 C F:ALA136 3.4 30.4 1.0 O F:HOH452 3.5 34.7 0.8 C F:PHE139 3.6 33.4 1.0 O F:PRO135 3.9 27.4 1.0 CG F:PRO135 4.0 24.0 1.0 CA F:ASN137 4.1 38.6 1.0 N F:ASN137 4.1 39.1 1.0 C F:PRO135 4.1 26.4 1.0 CB E:ASN92 4.3 29.5 1.0 CA F:ALA136 4.4 28.8 1.0 N F:ALA136 4.4 27.1 1.0 CB F:PRO135 4.4 27.6 1.0 CA F:THR140 4.5 42.1 1.0 O E:HOH219 4.5 56.0 0.5 N F:THR140 4.5 33.0 1.0 N F:PHE139 4.5 32.7 1.0 CA F:PHE139 4.6 22.5 1.0 OD1 F:ASN137 4.8 42.3 1.0 N F:GLY138 4.8 30.7 1.0 C F:ASN137 4.9 29.6 1.0 CA F:PRO135 4.9 24.3 1.0 ND2 E:ASN92 5.0 36.9 1.0

G.D.Van Duyne, G.Ghosh, W.K.Maas, P.B.Sigler. Structure of the Oligomerization and L-Arginine Binding Domain of the Arginine Repressor of Escherichia Coli. J.Mol.Biol. V. 256 377 1996.
ISSN: ISSN 0022-2836
PubMed: 8594204
DOI: 10.1006/JMBI.1996.0093