Lead in PDB 5jpn: Structure of Human Complement C4 Rebuilt Using Imdff

The structure of Structure of Human Complement C4 Rebuilt Using Imdff, PDB code: 5jpn was solved by T.I.Croll, G.R.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.90 / 3.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.450, 103.310, 256.030, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.3

The binding sites of Lead atom in the Structure of Human Complement C4 Rebuilt Using Imdff (pdb code 5jpn). 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 Human Complement C4 Rebuilt Using Imdff, PDB code: 5jpn:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the Structure of Human Complement C4 Rebuilt Using Imdff


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Structure of Human Complement C4 Rebuilt Using Imdff within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb704 b:0.6 occ:0.21 OD2 A:ASP221 2.7 0.4 1.0 CG A:ASP221 4.0 0.4 1.0 NH2 A:ARG138 4.3 0.5 1.0 OD1 A:ASP221 4.6 0.9 1.0 CZ A:ARG138 4.6 0.8 1.0 CB A:LEU91 4.7 0.9 1.0 NE A:ARG138 4.9 0.5 1.0

Lead binding site 2 out of 4 in the Structure of Human Complement C4 Rebuilt Using Imdff


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Structure of Human Complement C4 Rebuilt Using Imdff within 5.0Å range: probe atom residue distance (Å) B Occ B:Pb1514 b:0.9 occ:0.24 OE2 B:GLU807 2.7 0.5 1.0 OE1 B:GLU807 2.8 0.9 1.0 CD B:GLU807 3.1 1.0 1.0 CD1 A:TYR609 4.5 0.5 1.0 CG A:TYR609 4.6 0.3 1.0 CG B:GLU807 4.6 0.8 1.0 CB A:TYR609 4.7 1.0 1.0 NE2 B:HIS809 4.7 0.8 1.0 CE1 B:HIS809 5.0 0.3 1.0

Lead binding site 3 out of 4 in the Structure of Human Complement C4 Rebuilt Using Imdff


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Structure of Human Complement C4 Rebuilt Using Imdff within 5.0Å range: probe atom residue distance (Å) B Occ B:Pb1515 b:1.0 occ:0.24 OE1 B:GLU1357 2.7 0.2 1.0 OE2 B:GLU1357 2.8 0.1 1.0 CD B:GLU1357 3.1 0.2 1.0 CD1 B:LEU1354 4.3 0.6 1.0 CG B:GLU1357 4.6 0.9 1.0 CD2 B:TYR977 4.8 0.5 1.0 CE2 B:PHE1295 4.9 90.6 1.0 CG B:TYR977 4.9 0.8 1.0 CD2 B:LEU1381 4.9 0.1 1.0

Lead binding site 4 out of 4 in the Structure of Human Complement C4 Rebuilt Using Imdff


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Structure of Human Complement C4 Rebuilt Using Imdff within 5.0Å range: probe atom residue distance (Å) B Occ C:Pb1801 b:0.6 occ:0.35 OE1 C:GLU1592 2.7 0.5 1.0 OE2 C:GLU1592 2.7 0.3 1.0 CD C:GLU1592 3.1 0.2 1.0 O C:SER1672 4.0 0.8 1.0 CG C:GLU1592 4.6 0.5 1.0

T.I.Croll, G.R.Andersen. Re-Evaluation of Low-Resolution Crystal Structures Via Interactive Molecular-Dynamics Flexible Fitting (Imdff): A Case Study in Complement C4. Acta Crystallogr D Struct V. 72 1006 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 27599733
DOI: 10.1107/S2059798316012201