Iron in PDB 3cfl: Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution

The structure of Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution, PDB code: 3cfl was solved by R.Mir, 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 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.514, 50.395, 65.863, 90.00, 107.97, 90.00
R / Rfree (%)	18.3 / 22.5

The structure of Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution (pdb code 3cfl). 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 Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution, PDB code: 3cfl:

Iron binding site 1 out of 1 in the Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 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 Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe691 b:28.4 occ:1.00 OH A:TYR433 1.8 18.2 1.0 OD1 A:ASP395 2.0 17.5 1.0 OH A:TYR526 2.0 17.4 1.0 O2 A:CO3692 2.2 21.7 1.0 NE2 A:HIS595 2.2 16.6 1.0 O1 A:CO3692 2.3 20.0 1.0 C A:CO3692 2.6 20.1 1.0 CZ A:TYR433 2.9 19.4 1.0 CG A:ASP395 3.1 15.2 1.0 CZ A:TYR526 3.1 15.3 1.0 CE1 A:HIS595 3.2 16.1 1.0 CD2 A:HIS595 3.2 15.7 1.0 CE1 A:TYR433 3.6 18.9 1.0 CB A:ASP395 3.8 16.6 1.0 CE1 A:TYR526 3.8 16.9 1.0 CE2 A:TYR433 3.9 17.5 1.0 O3 A:CO3692 3.9 19.6 1.0 O A:HOH696 3.9 18.0 1.0 OD2 A:ASP395 4.0 18.7 1.0 CE2 A:TYR526 4.0 15.0 1.0 NH2 A:ARG463 4.0 24.7 1.0 O A:HOH695 4.1 18.0 1.0 ND1 A:HIS595 4.3 19.3 1.0 CG A:HIS595 4.4 17.5 1.0 CB A:THR464 4.5 16.0 1.0 CA A:ASP395 4.5 16.9 1.0 NE A:ARG463 4.6 24.6 1.0 N A:THR464 4.7 15.8 1.0 N A:ALA465 4.8 16.3 1.0 CZ A:ARG463 4.8 26.3 1.0 OG1 A:THR464 4.8 14.5 1.0 CD1 A:TYR433 4.9 20.5 1.0

R.Mir, G.Vikram, N.Singh, S.Sharma, P.Kaur, T.P.Singh. Crystal Structure of the Complex Formed Between C-Lobe of Bovine Lactoferrin and 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)Phenyl]-2,3'- Bipyridine at 2.25 A Resolution To Be Published.