Iron in PDB 2ays: A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution

The structure of A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution, PDB code: 2ays was solved by N.Singh, T.Jabeen, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.494, 50.401, 65.914, 90.00, 107.83, 90.00
R / Rfree (%)	18.1 / 20.9

The structure of A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution (pdb code 2ays). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution, PDB code: 2ays:

Iron binding site 1 out of 1 in the A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1686 b:13.8 occ:1.00 OH A:TYR526 1.9 12.9 1.0 OH A:TYR433 1.9 12.6 1.0 OD1 A:ASP395 2.1 9.1 1.0 O2 A:CO31687 2.1 13.3 1.0 O1 A:CO31687 2.1 14.5 1.0 NE2 A:HIS595 2.2 12.1 1.0 C A:CO31687 2.4 13.3 1.0 CZ A:TYR433 3.0 11.7 1.0 CZ A:TYR526 3.0 12.5 1.0 CG A:ASP395 3.1 11.0 1.0 CE1 A:HIS595 3.2 10.6 1.0 CD2 A:HIS595 3.2 8.5 1.0 CE1 A:TYR433 3.6 10.6 1.0 O3 A:CO31687 3.7 12.7 1.0 CB A:ASP395 3.8 11.1 1.0 CE1 A:TYR526 3.8 11.3 1.0 O A:HOH2011 3.9 14.3 1.0 CE2 A:TYR526 3.9 11.2 1.0 O A:HOH2007 3.9 13.8 1.0 CE2 A:TYR433 4.0 12.2 1.0 OD2 A:ASP395 4.1 11.1 1.0 ND1 A:HIS595 4.3 11.7 1.0 NH2 A:ARG463 4.3 18.6 1.0 CG A:HIS595 4.3 11.4 1.0 CB A:THR464 4.4 11.9 1.0 CA A:ASP395 4.5 11.4 1.0 NE A:ARG463 4.7 15.1 1.0 N A:THR464 4.7 12.0 1.0 N A:ALA465 4.8 11.1 1.0 CD1 A:TYR433 4.9 13.3 1.0 OG1 A:THR464 4.9 11.6 1.0 CZ A:ARG463 5.0 20.6 1.0

N.Singh, T.Jabeen, S.Sharma, T.P.Singh. A Conserved Non-Metallic Binding Site in the C-Terminal Lobe of Lactoferrin: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with N-Acetyl Galactosamine at 1.86 A Resolution To Be Published.