Iron in PDB 7jrd: The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin

The structure of The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin, PDB code: 7jrd was solved by R.Yadav, N.Noinaj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 2.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	120.388, 120.388, 207.378, 90, 90, 90
R / Rfree (%)	20.1 / 25.1

The binding sites of Iron atom in the The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin (pdb code 7jrd). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin, PDB code: 7jrd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:68.2 occ:1.00 O3 B:BCT703 1.7 66.1 1.0 OH B:TYR529 1.9 54.4 1.0 O2 B:BCT703 2.0 59.5 1.0 OD1 B:ASP396 2.0 60.1 1.0 C B:BCT703 2.0 60.1 1.0 OH B:TYR436 2.0 59.4 1.0 NE2 B:HIS598 2.3 52.2 1.0 CZ B:TYR436 3.0 53.2 1.0 CZ B:TYR529 3.0 50.2 1.0 CE1 B:HIS598 3.2 54.4 1.0 CG B:ASP396 3.2 52.8 1.0 O1 B:BCT703 3.2 43.6 1.0 CD2 B:HIS598 3.3 59.0 1.0 CE2 B:TYR436 3.6 48.6 1.0 CE1 B:TYR529 3.7 52.1 1.0 CE2 B:TYR529 4.0 53.1 1.0 CB B:ASP396 4.0 51.5 1.0 CE1 B:TYR436 4.1 47.8 1.0 OD2 B:ASP396 4.1 54.1 1.0 NH2 B:ARG466 4.3 65.0 1.0 ND1 B:HIS598 4.3 54.5 1.0 CB B:THR467 4.4 52.1 1.0 CG B:HIS598 4.4 57.1 1.0 N B:ALA468 4.4 51.4 1.0 CA B:ASP396 4.7 52.2 1.0 NE B:ARG466 4.7 68.4 1.0 CB B:ALA468 4.7 48.5 1.0 OG1 B:THR467 4.7 60.0 1.0 N B:THR467 4.7 49.8 1.0 CD2 B:TYR436 4.9 48.8 1.0 CZ B:ARG466 5.0 66.0 1.0 N B:GLY397 5.0 52.7 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of Lactoferrin Binding Protein B (Lbpb) From Neisseria Meningitidis in Complex with Human Lactoferrin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe702 b:72.5 occ:1.00 OH B:TYR193 1.9 64.2 1.0 OD1 B:ASP61 2.0 86.2 1.0 OH B:TYR93 2.1 72.5 1.0 O1 B:BCT704 2.1 73.9 1.0 NE2 B:HIS254 2.4 69.9 1.0 CZ B:TYR193 2.9 77.1 1.0 CG B:ASP61 3.0 78.8 1.0 C B:BCT704 3.0 65.9 1.0 O3 B:BCT704 3.0 65.9 1.0 CE1 B:HIS254 3.2 69.8 1.0 CZ B:TYR93 3.2 82.0 1.0 OD2 B:ASP61 3.5 69.5 1.0 CE1 B:TYR193 3.5 75.7 1.0 CD2 B:HIS254 3.6 73.2 1.0 CE2 B:TYR93 3.8 76.9 1.0 CE2 B:TYR193 3.9 83.9 1.0 NH2 B:ARG122 3.9 86.1 1.0 CB B:THR123 4.0 65.2 1.0 CB B:ASP61 4.1 73.6 1.0 O2 B:BCT704 4.2 76.1 1.0 CE1 B:TYR93 4.2 78.2 1.0 N B:ALA124 4.2 66.2 1.0 N B:THR123 4.3 58.3 1.0 OG1 B:THR123 4.3 74.3 1.0 ND1 B:HIS254 4.4 59.3 1.0 NE B:ARG122 4.4 80.0 1.0 CG B:HIS254 4.6 67.8 1.0 CZ B:ARG122 4.6 75.9 1.0 CA B:THR123 4.7 60.1 1.0 CD1 B:TYR193 4.8 70.9 1.0 CB B:ALA124 4.8 62.3 1.0 CA B:ASP61 5.0 62.0 1.0 C B:THR123 5.0 59.0 1.0

R.Yadav, N.Noinaj. Structural Insight Into the Dual Function of Lbpb in Mediating Neisserial Pathogenesis To Be Published.