Iron in PDB 3ci8: Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution, PDB code: 3ci8 was solved by G.S.Kushwaha, G.Vikram, N.Singh, 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 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.440, 50.460, 65.840, 90.00, 108.02, 90.00
R / Rfree (%)	19.3 / 20

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution (pdb code 3ci8). 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 the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution, PDB code: 3ci8:

Iron binding site 1 out of 1 in the Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 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 the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6 b:26.6 occ:1.00 OH A:TYR526 1.7 17.4 1.0 OD1 A:ASP395 1.8 16.5 1.0 O1 A:CO37 1.8 20.6 1.0 NE2 A:HIS595 1.9 19.6 1.0 CE1 A:HIS595 2.5 18.0 1.0 C A:CO37 2.6 21.6 1.0 CZ A:TYR526 2.6 14.8 1.0 O2 A:CO37 2.6 24.6 1.0 OH A:TYR433 2.7 16.4 1.0 CG A:ASP395 2.9 16.1 1.0 CD2 A:HIS595 3.2 18.2 1.0 NH2 A:ARG463 3.2 28.0 1.0 CE2 A:TYR526 3.3 14.5 1.0 CE1 A:TYR526 3.5 14.5 1.0 CB A:ASP395 3.5 14.2 1.0 CZ A:TYR433 3.5 16.2 1.0 ND1 A:HIS595 3.8 18.3 1.0 O3 A:CO37 3.8 20.2 1.0 O A:HOH688 3.8 20.0 1.0 OD2 A:ASP395 3.8 13.8 1.0 CZ A:ARG463 4.1 27.8 1.0 CG A:HIS595 4.1 18.0 1.0 NE A:ARG463 4.1 26.9 1.0 CE1 A:TYR433 4.2 17.0 1.0 CE2 A:TYR433 4.4 16.3 1.0 CA A:ASP395 4.5 16.3 1.0 CD2 A:TYR526 4.5 15.4 1.0 O A:HOH689 4.6 24.1 1.0 CD1 A:TYR526 4.7 15.1 1.0

G.S.Kushwaha, G.Vikram, R.Mir, N.Singh, S.Sharma, P.Kaur, T.P.Singh. Crystal Structure of the Complex of C-Lobe of Lactoferrin with Vitamin B3 (Niacin) at 2.4 A Resolution To Be Published.