Zinc in PDB 4for: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution, PDB code: 4for 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)	62.56 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.455, 50.010, 65.469, 90.00, 107.14, 90.00
R / Rfree (%)	16.5 / 20.5

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Iron	(Fe)	1 atom

The binding sites of Zinc atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution (pdb code 4for). 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 Flurbiprofen at 1.58 A Resolution, PDB code: 4for:
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 Flurbiprofen at 1.58 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 Flurbiprofen at 1.58 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn704 b:17.3 occ:1.00 OE2 A:GLU659 2.2 19.3 1.0 OE1 A:GLU659 2.2 14.7 1.0 CD A:GLU659 2.6 16.6 1.0 O A:GLY653 3.7 21.2 1.0 O A:HOH968 3.9 32.2 1.0 CG A:GLU659 4.0 15.5 1.0 O A:ARG654 4.4 17.6 1.0 O A:HOH996 4.5 43.9 1.0 CA A:PRO655 4.6 15.6 1.0 O A:HOH1052 4.7 61.0 1.0 CB A:GLU659 4.8 18.0 1.0 N A:THR656 4.9 14.2 1.0 C A:GLY653 4.9 17.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Flurbiprofen at 1.58 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 Flurbiprofen at 1.58 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn705 b:21.0 occ:1.00 NE2 A:HIS588 2.0 17.4 1.0 O A:HOH1123 2.2 27.1 1.0 CE1 A:HIS588 3.0 15.6 1.0 CD2 A:HIS588 3.1 20.2 1.0 O A:HOH1122 4.0 35.4 1.0 ND1 A:HIS588 4.1 18.8 1.0 CG A:HIS588 4.2 17.5 1.0 CG2 A:VAL591 4.4 23.8 1.0 O A:HOH848 4.6 23.4 1.0 O A:HOH1107 4.8 29.3 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 Flurbiprofen at 1.58 A Resolution To Be Published.