Iron in PDB 1nkx: Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution

The structure of Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution, PDB code: 1nkx was solved by S.Sharma, J.Jasti, J.Kumar, A.K.Mohanty, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.359, 50.471, 65.934, 90.00, 107.72, 90.00
R / Rfree (%)	19.2 / 22.2

The structure of Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution (pdb code 1nkx). 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 Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution, PDB code: 1nkx:

Iron binding site 1 out of 1 in the Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:17.6 occ:1.00 OH A:TYR526 2.0 14.7 1.0 OH A:TYR433 2.0 15.4 1.0 OD1 A:ASP395 2.1 14.4 1.0 O2 A:CO3693 2.2 16.2 1.0 O1 A:CO3693 2.2 21.4 1.0 NE2 A:HIS595 2.3 15.3 1.0 C A:CO3693 2.6 16.8 1.0 CZ A:TYR433 3.0 15.0 1.0 CZ A:TYR526 3.1 15.6 1.0 CD2 A:HIS595 3.2 13.6 1.0 CG A:ASP395 3.2 16.0 1.0 CE1 A:HIS595 3.3 15.7 1.0 CE1 A:TYR433 3.6 16.7 1.0 CB A:ASP395 3.8 13.5 1.0 CE1 A:TYR526 3.9 12.8 1.0 O3 A:CO3693 3.9 15.6 1.0 O A:HOH698 3.9 17.0 1.0 O A:HOH700 4.0 16.4 1.0 CE2 A:TYR526 4.0 12.4 1.0 CE2 A:TYR433 4.0 16.2 1.0 OD2 A:ASP395 4.1 14.6 1.0 CG A:HIS595 4.3 15.4 1.0 ND1 A:HIS595 4.4 15.5 1.0 NH2 A:ARG463 4.4 23.1 1.0 CB A:THR464 4.4 16.7 1.0 CA A:ASP395 4.5 14.6 1.0 N A:ALA465 4.8 14.8 1.0 NE A:ARG463 4.8 20.7 1.0 OG1 A:THR464 4.8 14.9 1.0 N A:THR464 4.8 15.3 1.0 CD1 A:TYR433 4.8 17.1 1.0 N A:GLY396 5.0 15.6 1.0

S.Sharma, J.Jasti, J.Kumar, A.K.Mohanty, T.P.Singh. Crystal Structure of A Proteolytically Generated Functional Monoferric C-Lobe of Bovine Lactoferrin at 1.9A Resolution J.Mol.Biol. V. 331 485 2003.
ISSN: ISSN 0022-2836
PubMed: 12888354
DOI: 10.1016/S0022-2836(03)00717-4