Zinc in PDB 3u72: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution, PDB code: 3u72 was solved by P.K.Shukla, L.Gautam, M.Sinha, 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)	38.94 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.400, 49.890, 65.200, 90.00, 107.14, 90.00
R / Rfree (%)	19.4 / 23

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Zinc atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution (pdb code 3u72). 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 C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution, PDB code: 3u72:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 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 C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn695 b:48.2 occ:1.00 OE2 A:GLU659 2.4 30.2 1.0 OE1 A:GLU659 2.5 24.4 1.0 CD A:GLU659 2.7 24.7 1.0 O A:HOH33 3.5 51.0 1.0 O A:GLY653 3.8 29.3 1.0 CG A:GLU659 4.2 24.3 1.0 O A:ARG654 4.4 29.1 1.0 CA A:PRO655 4.5 22.9 1.0 N A:THR656 4.8 16.5 1.0 C A:ARG654 4.9 29.8 1.0 CB A:GLU659 4.9 22.0 1.0 N A:PRO655 5.0 26.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 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 C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn696 b:27.9 occ:1.00 NE2 A:HIS588 2.0 22.9 1.0 O A:HOH29 2.1 12.7 1.0 O A:HOH3 2.7 34.8 1.0 CE1 A:HIS588 2.8 23.6 1.0 O A:HOH2 2.9 60.3 1.0 CD2 A:HIS588 3.2 24.1 1.0 O A:HOH201 3.9 32.5 1.0 ND1 A:HIS588 4.0 26.0 1.0 CG2 A:VAL591 4.2 23.5 1.0 CG A:HIS588 4.2 23.2 1.0 O A:HOH40 4.6 25.0 1.0

P.K.Shukla, L.Gautam, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Isoniazid at 2.2 A Resolution To Be Published.