Iron in PDB 5cry: Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination

The structure of Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination, PDB code: 5cry was solved by A.Singh, N.Rastogi, P.K.Singh, T.K.Tyagi, 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)	39.45 / 2.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	159.654, 82.580, 107.694, 90.00, 128.08, 90.00
R / Rfree (%)	20.5 / 27.3

The binding sites of Iron atom in the Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination (pdb code 5cry). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination, PDB code: 5cry:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe704 b:86.8 occ:1.00 O2 A:BCT705 2.1 54.9 1.0 O1 A:BCT705 2.1 58.7 1.0 OH A:TYR433 2.2 93.5 1.0 OH A:TYR526 2.3 62.1 1.0 OD2 A:ASP395 2.3 56.6 1.0 C A:BCT705 2.4 57.8 1.0 NE2 A:HIS595 2.9 45.8 1.0 CZ A:TYR526 3.2 52.5 1.0 CZ A:TYR433 3.3 83.3 1.0 O A:HOH801 3.4 49.7 1.0 CG A:ASP395 3.4 47.7 1.0 CD2 A:HIS595 3.6 42.2 1.0 O3 A:BCT705 3.7 49.1 1.0 CE1 A:TYR526 3.8 53.4 1.0 CE2 A:TYR433 4.0 81.9 1.0 CE1 A:HIS595 4.0 43.3 1.0 CB A:ASP395 4.1 45.8 1.0 CE2 A:TYR526 4.2 51.0 1.0 NH2 A:ARG463 4.2 57.2 1.0 CE1 A:TYR433 4.3 80.6 1.0 CB A:THR464 4.4 58.5 1.0 OD1 A:ASP395 4.4 56.9 1.0 N A:ALA465 4.6 58.8 1.0 CA A:ASP395 4.6 42.1 1.0 N A:THR464 4.7 53.2 1.0 NE A:ARG463 4.7 53.3 1.0 CG A:HIS595 4.9 42.1 1.0 CZ A:ARG463 4.9 59.0 1.0 OG1 A:THR464 4.9 53.1 1.0

Iron binding site 2 out of 2 in the Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 6.8 Indicates the Softening of Iron Coordination within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe706 b:65.9 occ:1.00 OD2 B:ASP395 2.0 54.3 1.0 OH B:TYR526 2.1 56.9 1.0 O2 B:BCT707 2.1 46.1 1.0 OH B:TYR433 2.2 68.1 1.0 O1 B:BCT707 2.2 42.6 1.0 C B:BCT707 2.5 48.0 1.0 NE2 B:HIS595 2.9 45.8 1.0 CZ B:TYR526 3.1 52.8 1.0 CG B:ASP395 3.1 47.3 1.0 CZ B:TYR433 3.2 69.0 1.0 CE2 B:TYR433 3.7 63.2 1.0 CB B:ASP395 3.7 45.0 1.0 CD2 B:HIS595 3.7 41.0 1.0 O3 B:BCT707 3.8 42.7 1.0 CE1 B:TYR526 3.8 51.4 1.0 CE1 B:HIS595 3.8 45.8 1.0 O B:HOH801 3.9 52.8 1.0 CE2 B:TYR526 4.0 51.5 1.0 OD1 B:ASP395 4.2 49.7 1.0 CE1 B:TYR433 4.2 73.6 1.0 NH1 B:ARG463 4.3 46.8 1.0 CB B:THR464 4.3 55.4 1.0 O B:HOH803 4.4 44.4 1.0 CA B:ASP395 4.4 39.2 1.0 N B:ALA465 4.6 55.5 1.0 N B:THR464 4.6 55.2 1.0 NE B:ARG463 4.6 54.4 1.0 OG1 B:THR464 4.8 52.3 1.0 CZ B:ARG463 4.9 47.2 1.0 CG B:HIS595 4.9 41.2 1.0 CA B:THR464 4.9 56.5 1.0 ND1 B:HIS595 5.0 46.5 1.0 N B:GLY396 5.0 42.1 1.0 CD2 B:TYR433 5.0 70.1 1.0

A.Singh, N.Rastogi, P.K.Singh, T.K.Tyagi, P.Kaur, S.Sharma, T.P.Singh. Structure of Iron-Saturated C-Lobe of Bovine Lactoferrin at pH 7.0 Indicates the Softening of Iron Coordination To Be Published.