Iron in PDB 2hca: Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution

The structure of Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution, PDB code: 2hca was solved by R.Mir, R.Prem Kumar, A.S.Ethayathulla, N.Singh, 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)	20.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.208, 50.435, 65.877, 90.00, 107.61, 90.00
R / Rfree (%)	21.4 / 24.8

The structure of Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution (pdb code 2hca). 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 Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution, PDB code: 2hca:

Iron binding site 1 out of 1 in the Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 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 Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe696 b:23.1 occ:1.00 OH A:TYR526 1.9 17.4 1.0 OH A:TYR433 2.0 21.0 1.0 OD1 A:ASP395 2.1 15.2 1.0 O2 A:CO3697 2.3 18.6 1.0 NE2 A:HIS595 2.3 21.1 1.0 O1 A:CO3697 2.6 18.4 1.0 C A:CO3697 2.8 18.5 1.0 CZ A:TYR433 3.1 21.0 1.0 CZ A:TYR526 3.1 18.1 1.0 CG A:ASP395 3.2 14.0 1.0 CE1 A:HIS595 3.3 21.8 1.0 CD2 A:HIS595 3.3 21.1 1.0 CB A:ASP395 3.7 14.6 1.0 CE1 A:TYR433 3.8 21.6 1.0 CE1 A:TYR526 3.9 17.9 1.0 CE2 A:TYR433 4.0 21.0 1.0 CE2 A:TYR526 4.0 18.1 1.0 O A:HOH728 4.1 30.3 1.0 O3 A:CO3697 4.1 17.7 1.0 CB A:THR464 4.2 13.6 1.0 OD2 A:ASP395 4.2 11.9 1.0 O A:HOH709 4.4 11.4 1.0 ND1 A:HIS595 4.4 21.6 1.0 CG A:HIS595 4.4 19.4 1.0 OG1 A:THR464 4.4 13.4 1.0 CA A:ASP395 4.4 15.0 1.0 NH2 A:ARG463 4.5 17.7 1.0 N A:THR464 4.5 12.8 1.0 N A:ALA465 4.6 15.3 1.0 NE A:ARG463 4.8 17.1 1.0 N A:GLY396 4.8 16.3 1.0 CA A:THR464 4.9 13.6 1.0

R.Mir, R.Prem Kumar, A.S.Ethayathulla, N.Singh, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of Bovine Lactoferrin C-Lobe Liganded with Glucose at 2.8 A Resolution To Be Published.