Lead in PDB 3fhh: Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae

The structure of Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae, PDB code: 3fhh was solved by K.Brillet, D.Cobessi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.099, 114.217, 117.085, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 28.6

The binding sites of Lead atom in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae (pdb code 3fhh). This binding sites where shown within 5.0 Angstroms radius around Lead atom.
In total 4 binding sites of Lead where determined in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae, PDB code: 3fhh:
Jump to Lead binding site number: 1; 2; 3; 4;

Lead binding site 1 out of 4 in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 1 of Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb642 b:0.8 occ:1.00 OD2 A:ASP384 2.3 63.9 1.0 O A:HOH650 2.8 33.0 1.0 OD1 A:ASP384 2.9 62.5 1.0 CG A:ASP384 3.0 62.8 1.0 O A:HOH660 3.1 42.2 1.0 CB A:ASP384 4.4 61.1 1.0 CB A:SER378 4.5 53.7 1.0

Lead binding site 2 out of 4 in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 2 of Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb643 b:92.2 occ:0.31 OD1 A:ASP380 3.2 68.4 1.0 CG A:ASP380 3.8 65.0 1.0 OD2 A:ASP380 4.3 66.7 1.0 N A:GLY381 4.4 61.5 1.0 CB A:ASP380 4.5 61.5 1.0 C A:ASP380 4.5 60.9 1.0 CA A:GLY381 4.6 62.1 1.0 CA A:ASP380 4.9 60.5 1.0 O A:ASP380 4.9 60.5 1.0

Lead binding site 3 out of 4 in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 3 of Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb644 b:72.7 occ:0.26 OD2 A:ASP386 2.5 67.9 1.0 O A:ASP384 2.8 61.2 1.0 CG A:ASP386 3.4 65.0 1.0 C A:ASP384 3.8 60.1 1.0 CB A:ASP386 3.9 63.2 1.0 N A:ASP386 4.1 60.6 1.0 CB A:ASP384 4.3 61.1 1.0 OD1 A:ASP386 4.4 66.3 1.0 N A:VAL385 4.6 59.1 1.0 CA A:ASP384 4.6 60.0 1.0 O A:HOH659 4.6 47.9 1.0 CA A:ASP386 4.7 60.7 1.0 CA A:VAL385 4.7 58.9 1.0 C A:VAL385 4.7 59.0 1.0

Lead binding site 4 out of 4 in the Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb binding site number 4 of Crystal Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From Shigella Dysenteriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Pb645 b:84.0 occ:0.37 OD2 A:ASP591 2.9 62.6 1.0 OD1 A:ASP591 3.2 64.2 1.0 NE2 A:HIS44 3.2 65.4 1.0 CG A:ASP591 3.4 61.1 1.0 CG1 A:VAL589 3.8 60.3 1.0 CE1 A:HIS44 4.1 65.9 1.0 CD2 A:HIS44 4.2 62.9 1.0 CB A:VAL589 4.6 60.0 1.0 OH A:TYR619 4.6 51.1 1.0 CB A:ASP591 4.8 60.1 1.0 OG1 A:THR569 5.0 57.7 1.0

K.Brillet, A.Meksem, D.Cobessi. Structure of the Heme/Hemoglobin Outer Membrane Transporter Shua From the Human Pathogen /Shigella Dysenteriae /Bound to Divalent Cations: Heme Binding By An Extracellular Induced Fit Mechanism To Be Published.