Iron in PDB 7ev0: Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A Resolution

The structure of Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A Resolution, PDB code: 7ev0 was solved by J.Singh, M.I.Ahmad, 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)	67.12 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.508, 81.76, 111.794, 90, 130.32, 90
R / Rfree (%)	24.1 / 31.4

The binding sites of Iron atom in the Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A Resolution (pdb code 7ev0). 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 C-Terminal Half of Lactoferrin at 2.7A Resolution, PDB code: 7ev0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A 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 C-Terminal Half of Lactoferrin at 2.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:64.8 occ:1.00 OH A:TYR526 2.0 61.8 1.0 O2 A:CO3702 2.1 60.3 1.0 O1 A:CO3702 2.1 50.2 1.0 OH A:TYR433 2.1 65.7 1.0 OD1 A:ASP395 2.1 65.3 1.0 C A:CO3702 2.4 61.5 1.0 NE2 A:HIS595 2.4 64.6 1.0 CG A:ASP395 2.9 53.9 1.0 CZ A:TYR433 3.0 76.1 1.0 CZ A:TYR526 3.0 66.5 1.0 CD2 A:HIS595 3.3 55.5 1.0 CE1 A:HIS595 3.4 59.6 1.0 CE2 A:TYR433 3.5 85.4 1.0 O A:HOH822 3.6 71.6 1.0 O3 A:CO3702 3.6 55.1 1.0 CB A:ASP395 3.7 53.6 1.0 OD2 A:ASP395 3.7 52.3 1.0 CE2 A:TYR526 3.8 65.1 1.0 CE1 A:TYR526 3.9 60.9 1.0 O A:HOH809 3.9 53.9 1.0 CE1 A:TYR433 4.0 77.5 1.0 NH2 A:ARG463 4.1 49.6 1.0 CA A:ASP395 4.4 54.5 1.0 CG A:HIS595 4.5 52.8 1.0 ND1 A:HIS595 4.5 56.2 1.0 CB A:THR464 4.6 72.3 1.0 NE A:ARG463 4.7 55.7 1.0 CD2 A:TYR433 4.8 87.0 1.0 OG1 A:THR464 4.9 67.6 1.0 N A:ALA465 4.9 79.4 1.0 CZ A:ARG463 4.9 47.5 1.0 N A:THR464 5.0 78.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A 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 C-Terminal Half of Lactoferrin at 2.7A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ P:Fe701 b:70.6 occ:1.00 O1 P:CO3702 2.0 53.2 1.0 O2 P:CO3702 2.0 57.0 1.0 OD1 P:ASP395 2.1 62.5 1.0 OH P:TYR526 2.1 85.3 1.0 OH P:TYR433 2.1 73.6 1.0 NE2 P:HIS595 2.2 67.3 1.0 C P:CO3702 2.3 62.0 1.0 CG P:ASP395 2.8 56.1 1.0 CZ P:TYR526 3.0 78.5 1.0 CD2 P:HIS595 3.1 60.6 1.0 CZ P:TYR433 3.1 84.2 1.0 CE1 P:HIS595 3.2 67.8 1.0 CB P:ASP395 3.5 55.7 1.0 O3 P:CO3702 3.6 56.5 1.0 CE1 P:TYR526 3.7 77.6 1.0 CE2 P:TYR433 3.7 93.0 1.0 OD2 P:ASP395 3.7 55.6 1.0 CE2 P:TYR526 3.9 81.0 1.0 CE1 P:TYR433 4.1 87.7 1.0 CA P:ASP395 4.2 51.3 1.0 O P:HOH801 4.3 73.8 1.0 CG P:HIS595 4.3 59.1 1.0 ND1 P:HIS595 4.3 64.7 1.0 NH2 P:ARG463 4.5 65.3 1.0 NE P:ARG463 4.5 62.9 1.0 CZ P:ARG463 4.8 59.6 1.0 CB P:THR464 4.9 56.8 1.0 N P:THR464 4.9 54.6 1.0 CD1 P:TYR526 4.9 78.5 1.0 CG P:ARG463 4.9 58.6 1.0 N P:ALA465 4.9 70.1 1.0 CD2 P:TYR433 5.0 98.7 1.0 N P:GLY396 5.0 57.2 1.0 OG1 P:THR464 5.0 56.9 1.0

J.Singh, M.I.Ahmad, A.Maurya, P.Sharma, S.Sharma, T.P.Singh. Crystal Structure of Pepsin Cleaved C-Terminal Half of Lactoferrin at 2.7A Resolution To Be Published.