Iron in PDB 2r9j: Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution

The structure of Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution, PDB code: 2r9j was solved by R.Mir, G.Vikram, N.Singh, S.Kumar, M.Sinha, S.Sharma, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.330, 50.340, 65.910, 90.00, 107.65, 90.00
R / Rfree (%)	22.5 / 24.9

The structure of Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution (pdb code 2r9j). 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 Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution, PDB code: 2r9j:

Iron binding site 1 out of 1 in the Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe689 b:42.2 occ:1.00 OH A:TYR526 1.7 18.4 1.0 OD1 A:ASP395 1.7 18.1 1.0 OH A:TYR433 2.0 20.8 1.0 NE2 A:HIS595 2.2 17.3 1.0 O2 A:CO3690 2.3 32.1 1.0 O1 A:CO3690 2.4 31.9 1.0 C A:CO3690 2.7 31.4 1.0 CZ A:TYR526 2.8 13.1 1.0 CG A:ASP395 2.9 16.4 1.0 CE1 A:HIS595 3.0 16.6 1.0 CZ A:TYR433 3.1 18.2 1.0 CD2 A:HIS595 3.3 18.1 1.0 CE1 A:TYR526 3.5 13.4 1.0 CB A:ASP395 3.6 15.6 1.0 CE2 A:TYR526 3.6 13.8 1.0 CE1 A:TYR433 3.7 17.9 1.0 OD2 A:ASP395 3.8 15.6 1.0 NH2 A:ARG463 3.9 33.0 1.0 CE2 A:TYR433 4.0 19.0 1.0 O3 A:CO3690 4.0 30.0 1.0 O A:HOH716 4.0 20.0 1.0 O A:HOH720 4.1 22.7 1.0 ND1 A:HIS595 4.2 19.4 1.0 CG A:HIS595 4.4 16.6 1.0 CA A:ASP395 4.4 17.3 1.0 CB A:THR464 4.5 16.3 1.0 NE A:ARG463 4.7 32.6 1.0 CZ A:ARG463 4.7 32.7 1.0 N A:ALA465 4.7 18.4 1.0 CD1 A:TYR526 4.8 13.1 1.0 OG1 A:THR464 4.9 16.6 1.0 CD2 A:TYR526 4.9 14.2 1.0 N A:THR464 4.9 15.1 1.0 CD1 A:TYR433 4.9 18.0 1.0

R.Mir, G.Vikram, N.Singh, S.Kumar, M.Sinha, S.Sharma, P.Kaur, T.P.Singh. Ligand Recognition in C-Lobe: the Crystal Structure of the Complex of Lactoferrin C-Lobe with Nicotinamide at 2.5 A Resolution To Be Published.