Iron in PDB 4for: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution, PDB code: 4for was solved by P.K.Shukla, L.Gautam, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.56 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.455, 50.010, 65.469, 90.00, 107.14, 90.00
R / Rfree (%)	16.5 / 20.5

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution (pdb code 4for). 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 C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution, PDB code: 4for:

Iron binding site 1 out of 1 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A 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 C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:11.5 occ:1.00 OH A:TYR433 2.0 10.9 1.0 OH A:TYR526 2.1 12.3 1.0 O2 A:CO3702 2.1 12.0 1.0 O1 A:CO3702 2.1 13.6 1.0 OD1 A:ASP395 2.1 13.1 1.0 NE2 A:HIS595 2.2 12.3 1.0 C A:CO3702 2.5 12.6 1.0 CZ A:TYR433 3.0 11.8 1.0 CZ A:TYR526 3.1 12.0 1.0 CG A:ASP395 3.2 10.6 1.0 CD2 A:HIS595 3.2 11.3 1.0 CE1 A:HIS595 3.2 12.0 1.0 CE1 A:TYR433 3.6 12.2 1.0 O3 A:CO3702 3.7 11.4 1.0 CB A:ASP395 3.8 10.9 1.0 CE1 A:TYR526 3.8 11.8 1.0 O A:HOH880 3.9 16.0 1.0 O A:HOH815 3.9 11.9 1.0 CE2 A:TYR433 4.0 11.9 1.0 CE2 A:TYR526 4.0 11.8 1.0 OD2 A:ASP395 4.2 11.2 1.0 NH2 A:ARG463 4.3 13.6 1.0 CB A:THR464 4.3 11.1 1.0 ND1 A:HIS595 4.3 12.2 1.0 CG A:HIS595 4.4 11.9 1.0 CA A:ASP395 4.4 10.1 1.0 N A:THR464 4.6 11.1 1.0 NE A:ARG463 4.6 12.3 1.0 N A:ALA465 4.7 11.4 1.0 OG1 A:THR464 4.7 12.2 1.0 CD1 A:TYR433 4.9 13.1 1.0 CA A:THR464 5.0 11.0 1.0 CZ A:ARG463 5.0 14.1 1.0 N A:GLY396 5.0 11.1 1.0

P.K.Shukla, L.Gautam, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution To Be Published.