Zinc 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:

Iron	(Fe)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where 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:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn3 b:27.4 occ:1.00 O A:HOH827 2.0 26.1 1.0 OE2 A:GLU659 2.1 27.9 1.0 OE1 A:GLU659 2.5 25.9 1.0 CD A:GLU659 2.6 26.2 1.0 O A:GLY653 3.8 32.7 1.0 CG A:GLU659 4.1 24.7 1.0 O A:ARG654 4.5 29.1 1.0 CA A:PRO655 4.7 26.7 1.0 N A:THR656 4.9 24.8 1.0 CB A:GLU659 4.9 24.1 1.0 C A:GLY653 5.0 32.5 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn4 b:34.8 occ:1.00 O A:HOH815 1.7 24.4 1.0 NE2 A:HIS588 2.1 25.2 1.0 O A:HOH882 2.5 47.2 1.0 CE1 A:HIS588 3.0 24.9 1.0 O A:HOH816 3.0 62.9 1.0 CD2 A:HIS588 3.1 24.5 1.0 O A:HOH765 3.9 38.1 1.0 ND1 A:HIS588 4.1 24.0 1.0 CG A:HIS588 4.2 24.5 1.0 CG1 A:VAL591 4.5 24.8 1.0 O A:HOH734 4.6 27.2 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.