Iron in PDB 2alu: Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution

The structure of Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution, PDB code: 2alu was solved by N.Singh, T.Jabeen, S.Sharma, A.Bhushan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.508, 50.518, 66.114, 90.00, 107.76, 90.00
R / Rfree (%)	19.8 / 21.2

The structure of Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution (pdb code 2alu). 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 Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution, PDB code: 2alu:

Iron binding site 1 out of 1 in the Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe694 b:16.8 occ:1.00 OH A:TYR526 1.9 14.6 1.0 OH A:TYR433 2.0 16.8 1.0 OD1 A:ASP395 2.0 16.6 1.0 O2 A:CO3695 2.1 16.2 1.0 NE2 A:HIS595 2.1 16.8 1.0 O1 A:CO3695 2.1 16.7 1.0 C A:CO3695 2.4 15.3 1.0 CE1 A:HIS595 3.0 14.7 1.0 CZ A:TYR526 3.0 14.4 1.0 CZ A:TYR433 3.0 18.9 1.0 CG A:ASP395 3.0 15.2 1.0 CD2 A:HIS595 3.1 15.2 1.0 CE1 A:TYR433 3.7 18.2 1.0 O3 A:CO3695 3.7 14.2 1.0 CB A:ASP395 3.7 13.4 1.0 CE1 A:TYR526 3.8 12.1 1.0 O A:HOH697 3.9 15.5 1.0 CE2 A:TYR526 3.9 12.5 1.0 OD2 A:ASP395 4.0 14.9 1.0 CE2 A:TYR433 4.0 16.7 1.0 O A:HOH698 4.0 12.7 1.0 ND1 A:HIS595 4.1 19.1 1.0 CG A:HIS595 4.2 14.9 1.0 NH2 A:ARG463 4.4 26.4 1.0 CB A:THR464 4.4 12.1 1.0 CA A:ASP395 4.4 13.7 1.0 N A:THR464 4.7 14.5 1.0 NE A:ARG463 4.8 22.2 1.0 N A:ALA465 4.8 13.4 1.0 OG1 A:THR464 4.8 13.2 1.0 CD1 A:TYR433 4.9 19.3 1.0 N A:GLY396 5.0 13.1 1.0

N.Singh, T.Jabeen, S.Sharma, A.Bhushan, T.P.Singh. Detection of New Binding Site in the C-Terminal Lobe of Lactoferrin:Crystal Structure of the Complex Formed Between Bovine Lactoferrin and A Tetrasaccharide at 2.1A Resolution To Be Published.