Zinc in PDB 3e9x: Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution, PDB code: 3e9x was solved by R.Mir, K.Balaji, G.Vikram, M.Sinha, N.Singh, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.570, 50.350, 65.960, 90.00, 107.90, 90.00
R / Rfree (%)	19.7 / 23.5

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 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 Nimesulide at 2.7 A Resolution (pdb code 3e9x). 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 Nimesulide at 2.7 A Resolution, PDB code: 3e9x:
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 Nimesulide at 2.7 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 Nimesulide at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn689 b:44.8 occ:1.00 OE2 A:GLU659 2.4 40.4 1.0 OE1 A:GLU659 2.7 38.6 1.0 CD A:GLU659 2.9 38.8 1.0 O A:GLY653 3.7 45.4 1.0 CG A:GLU659 4.4 38.4 1.0 O A:ARG654 4.4 42.5 1.0 CG2 A:THR656 4.7 34.6 1.0 CA A:PRO655 4.9 36.3 1.0 C A:GLY653 4.9 44.5 1.0 C A:ARG654 5.0 41.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 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 Nimesulide at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn690 b:47.1 occ:1.00 NE2 A:HIS588 2.2 34.4 1.0 CD2 A:HIS588 3.1 34.8 1.0 CE1 A:HIS588 3.2 35.2 1.0 O A:HOH789 3.3 54.3 1.0 CG A:HIS588 4.3 34.5 1.0 ND1 A:HIS588 4.3 35.3 1.0 O A:HOH744 4.8 56.5 1.0

R.Mir, K.Balaji, G.Vikram, M.Sinha, N.Singh, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution To Be Published.