Zinc in PDB 3ib0: Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac

The structure of Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac, PDB code: 3ib0 was solved by R.Mir, N.Singh, M.Sinha, S.Sharma, P.Kaur, A.Srinivasan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.26 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.432, 49.865, 65.165, 90.00, 107.10, 90.00
R / Rfree (%)	19.3 / 21.9

The structure of Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Zinc atom in the Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac (pdb code 3ib0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac, PDB code: 3ib0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn688 b:14.2 occ:1.00 O A:HOH785 2.0 20.6 1.0 OE2 A:GLU659 2.1 14.3 1.0 OE1 A:GLU659 2.2 12.8 1.0 CD A:GLU659 2.5 13.7 1.0 O A:GLY653 3.8 19.4 1.0 CG A:GLU659 4.0 13.7 1.0 O A:HOH220 4.0 27.8 1.0 O A:HOH840 4.5 33.4 1.0 CA A:PRO655 4.6 14.1 1.0 O A:ARG654 4.7 15.2 1.0 CB A:GLU659 4.8 13.5 1.0 N A:THR656 4.8 12.8 1.0 CG2 A:THR656 4.9 13.2 1.0 C A:GLY653 5.0 19.3 1.0

Zinc binding site 2 out of 2 in the Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis of the Prevention of Nsaid-Induced Damage of the Gastrointestinal Tract By C-Terminal Half (C-Lobe) of Bovine Colostrum Protein Lactoferrin: Binding and Structural Studies of C- Lobe Complex with Diclofenac within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn689 b:17.5 occ:1.00 O A:HOH799 1.6 28.1 1.0 NE2 A:HIS588 2.0 14.2 1.0 O A:HOH88 2.0 28.6 1.0 O A:HOH800 2.3 21.1 1.0 CE1 A:HIS588 2.9 15.4 1.0 CD2 A:HIS588 3.1 15.4 1.0 ND1 A:HIS588 4.1 15.5 1.0 O A:HOH719 4.2 35.0 1.0 CG A:HIS588 4.2 14.8 1.0 O A:HOH81 4.2 28.1 1.0 CG2 A:VAL591 4.3 17.4 1.0 O A:HOH89 4.6 22.7 1.0 O A:HOH693 4.6 19.9 1.0 O A:HOH750 4.9 61.5 1.0

R.Mir, N.Singh, G.Vikram, R.P.Kumar, M.Sinha, A.Bhushan, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh. The Structural Basis For the Prevention of Nonsteroidal Antiinflammatory Drug-Induced Gastrointestinal Tract Damage By the C-Lobe of Bovine Colostrum Lactoferrin Biophys.J. V. 97 3178 2009.
ISSN: ISSN 0006-3495
PubMed: 20006955
DOI: 10.1016/J.BPJ.2009.09.030