Iron in PDB 7fdw: Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution

The structure of Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution, PDB code: 7fdw was solved by P.K.Singh, J.Singh, A.Maurya, P.Sharma, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.70 / 2.28
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.781, 81.703, 111.694, 90, 129.86, 90
R / Rfree (%)	21.3 / 24.7

The binding sites of Iron atom in the Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution (pdb code 7fdw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution, PDB code: 7fdw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 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 Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:70.1 occ:1.00 OH A:TYR433 2.0 66.6 1.0 OH A:TYR526 2.1 50.8 1.0 O2 A:CO3702 2.1 49.1 1.0 OD1 A:ASP395 2.1 64.9 1.0 O1 A:CO3702 2.2 54.1 1.0 NE2 A:HIS595 2.3 40.3 1.0 C A:CO3702 2.5 58.9 1.0 CZ A:TYR433 2.9 58.6 1.0 CZ A:TYR526 3.0 46.5 1.0 CD2 A:HIS595 3.1 37.0 1.0 CG A:ASP395 3.1 61.0 1.0 CE1 A:HIS595 3.4 38.6 1.0 CE2 A:TYR433 3.4 67.6 1.0 CB A:ASP395 3.7 58.4 1.0 O A:HOH803 3.7 63.9 1.0 O A:HOH806 3.7 56.2 1.0 CE2 A:TYR526 3.8 43.5 1.0 CE1 A:TYR526 3.8 46.5 1.0 O3 A:CO3702 3.8 49.8 1.0 CE1 A:TYR433 4.0 73.1 1.0 OD2 A:ASP395 4.2 67.3 1.0 NH2 A:ARG463 4.3 60.9 1.0 CG A:HIS595 4.3 38.9 1.0 CA A:ASP395 4.4 54.6 1.0 ND1 A:HIS595 4.4 41.1 1.0 CB A:THR464 4.5 70.7 1.0 N A:ALA465 4.6 65.8 1.0 N A:THR464 4.6 58.0 1.0 NE A:ARG463 4.6 54.9 1.0 CD2 A:TYR433 4.7 69.2 1.0 OG1 A:THR464 4.8 70.0 1.0 CZ A:ARG463 4.9 53.7 1.0 N A:GLY396 5.0 54.4 1.0 CD2 A:TYR526 5.0 43.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe703 b:66.3 occ:1.00 O2 B:CO3704 1.9 45.6 1.0 OH B:TYR433 2.0 65.2 1.0 OD1 B:ASP395 2.1 80.2 1.0 O1 B:CO3704 2.1 46.0 1.0 OH B:TYR526 2.2 59.2 1.0 NE2 B:HIS595 2.3 42.5 1.0 C B:CO3704 2.3 49.0 1.0 CZ B:TYR433 3.0 77.5 1.0 CZ B:TYR526 3.0 49.7 1.0 CG B:ASP395 3.1 57.0 1.0 CD2 B:HIS595 3.1 40.2 1.0 CE1 B:HIS595 3.4 43.7 1.0 CE2 B:TYR433 3.5 75.8 1.0 CB B:ASP395 3.6 56.3 1.0 O3 B:CO3704 3.6 52.5 1.0 O B:HOH803 3.7 59.3 1.0 CE1 B:TYR526 3.8 56.0 1.0 CE2 B:TYR526 3.8 54.1 1.0 O B:HOH817 3.9 67.3 1.0 CE1 B:TYR433 4.0 82.0 1.0 OD2 B:ASP395 4.1 75.0 1.0 NH2 B:ARG463 4.3 68.3 1.0 CG B:HIS595 4.3 43.8 1.0 CA B:ASP395 4.4 51.2 1.0 CB B:THR464 4.4 59.2 1.0 ND1 B:HIS595 4.4 42.2 1.0 N B:THR464 4.5 55.2 1.0 NE B:ARG463 4.6 71.1 1.0 N B:ALA465 4.7 65.1 1.0 CD2 B:TYR433 4.8 84.1 1.0 OG1 B:THR464 4.8 57.2 1.0 N B:GLY396 4.9 57.8 1.0 CZ B:ARG463 4.9 62.6 1.0

P.K.Singh, J.Singh, A.Maurya, P.Sharma, S.Sharma, T.P.Singh. Crystal Structure of Pepsin Cleaved Lactoferrin C-Lobe at 2.28 A Resolution To Be Published.