Zinc 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:

Iron

(Fe)

1 atom

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

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn687 b:53.6 occ:1.00 NE2 A:HIS588 2.3 26.2 1.0 O A:HOH838 2.6 74.4 1.0 CD2 A:HIS588 3.1 24.3 1.0 O A:HOH741 3.2 61.9 1.0 CE1 A:HIS588 3.4 26.4 1.0 CG1 A:VAL591 4.0 31.4 1.0 CG A:HIS588 4.3 25.4 1.0 ND1 A:HIS588 4.4 25.4 1.0 O A:HOH786 4.5 48.9 1.0 O A:HOH777 4.8 59.8 1.0 O A:HOH859 4.9 44.4 1.0 CA A:ALA590 4.9 25.3 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn688 b:44.7 occ:1.00 OE2 A:GLU659 2.5 36.6 1.0 CD A:GLU659 2.7 34.3 1.0 OE1 A:GLU659 2.8 38.4 1.0 O A:GLY653 3.8 40.7 1.0 CG A:GLU659 3.8 29.8 1.0 CB A:GLU659 4.3 25.7 1.0 CA A:PRO655 4.4 34.6 1.0 O A:ARG654 4.5 37.8 1.0 N A:THR656 4.8 32.1 1.0 C A:GLY653 5.0 39.9 1.0 O7 A:NCA692 5.0 45.1 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.