Iron in PDB 2nwj: Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution

The structure of Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution, PDB code: 2nwj was solved by N.Singh, S.Sharma, M.Perbandt, P.Kaur, C.Betzel, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.960, 49.840, 64.810, 90.00, 106.59, 90.00
R / Rfree (%)	20.7 / 22.7

The structure of Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution (pdb code 2nwj). 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 Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution, PDB code: 2nwj:

Iron binding site 1 out of 1 in the Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1687 b:21.1 occ:1.00 OH A:TYR433 1.9 20.9 1.0 OH A:TYR526 2.0 19.3 1.0 OD1 A:ASP395 2.1 20.0 1.0 O2 A:CO31999 2.2 21.9 1.0 NE2 A:HIS595 2.2 17.7 1.0 O1 A:CO31999 2.2 22.8 1.0 C A:CO31999 2.6 20.7 1.0 CZ A:TYR433 3.0 21.2 1.0 CZ A:TYR526 3.1 18.9 1.0 CD2 A:HIS595 3.1 19.2 1.0 CG A:ASP395 3.2 19.2 1.0 CE1 A:HIS595 3.2 20.2 1.0 CE1 A:TYR433 3.6 21.5 1.0 CB A:ASP395 3.7 18.7 1.0 CE1 A:TYR526 3.8 18.8 1.0 O3 A:CO31999 3.9 20.6 1.0 O A:HOH2005 3.9 18.4 1.0 O A:HOH2034 3.9 21.0 1.0 CE2 A:TYR526 4.0 18.2 1.0 CE2 A:TYR433 4.0 22.2 1.0 OD2 A:ASP395 4.2 19.6 1.0 NH2 A:ARG463 4.3 25.8 1.0 CG A:HIS595 4.3 19.7 1.0 ND1 A:HIS595 4.3 19.5 1.0 CB A:THR464 4.4 18.8 1.0 CA A:ASP395 4.4 19.2 1.0 N A:ALA465 4.6 19.0 1.0 N A:THR464 4.7 18.3 1.0 NE A:ARG463 4.7 24.1 1.0 OG1 A:THR464 4.7 18.1 1.0 CD1 A:TYR433 4.9 22.1 1.0 N A:GLY396 4.9 19.5 1.0 CZ A:ARG463 5.0 25.6 1.0 CA A:THR464 5.0 18.6 1.0

N.Singh, S.Sharma, M.Perbandt, P.Kaur, C.Betzel, T.P.Singh. Structure of the Complex of C-Terminal Lobe of Bovine Lactoferrin with Disaccharide at 1.75 A Resolution To Be Published.