Zinc 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:

Iron

(Fe)

1 atom

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

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn8 b:65.2 occ:1.00 OE2 A:GLU659 1.8 21.0 1.0 O A:GLY653 2.8 33.0 1.0 CD A:GLU659 2.8 25.0 1.0 OE1 A:GLU659 3.2 26.9 1.0 C A:GLY653 3.9 35.0 1.0 O A:ARG654 4.0 33.9 1.0 CG A:GLU659 4.1 20.7 1.0 C A:ARG654 4.4 32.4 1.0 CA A:PRO655 4.5 27.9 1.0 CA A:GLY653 4.6 36.2 1.0 N A:PRO655 4.7 29.5 1.0 CB A:GLU659 4.9 23.6 1.0 N A:ARG654 5.0 33.7 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn9 b:38.3 occ:1.00 O A:HOH791 1.9 41.7 1.0 NE2 A:HIS588 2.0 24.3 1.0 O A:HOH835 2.3 39.7 1.0 CD2 A:HIS588 2.9 21.3 1.0 CE1 A:HIS588 3.0 23.3 1.0 O A:HOH826 3.8 55.7 1.0 ND1 A:HIS588 4.0 23.1 1.0 CG A:HIS588 4.1 22.0 1.0 CG1 A:VAL591 4.2 27.9 1.0 O A:HOH836 4.4 55.3 1.0 O A:HOH789 4.5 37.6 1.0 O A:HOH726 4.7 39.1 1.0 CA A:ALA590 4.9 20.3 1.0 N A:VAL591 5.0 22.1 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.