Zinc in PDB 3ib1: 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 Indomethacin

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 Indomethacin, PDB code: 3ib1 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)	62.99 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.839, 50.654, 66.119, 90.00, 107.56, 90.00
R / Rfree (%)	20.9 / 24.4

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 Indomethacin also contains other interesting chemical elements:

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

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 Indomethacin (pdb code 3ib1). 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 Indomethacin, PDB code: 3ib1:
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 Indomethacin


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 Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:37.4 occ:1.00 O A:HOH809 1.6 29.4 1.0 OE2 A:GLU659 2.1 35.5 1.0 OE1 A:GLU659 2.4 32.0 1.0 CD A:GLU659 2.5 33.6 1.0 O A:ARG654 4.0 39.1 1.0 CG A:GLU659 4.0 31.7 1.0 O A:GLY653 4.8 38.9 1.0 CB A:GLU659 4.9 30.9 1.0 C A:ARG654 4.9 38.5 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 Indomethacin


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 Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:42.3 occ:1.00 O A:HOH842 1.8 20.6 1.0 NE2 A:HIS588 2.0 28.1 1.0 O A:HOH821 2.2 57.2 1.0 O A:HOH820 2.4 58.2 1.0 CE1 A:HIS588 2.8 28.7 1.0 CD2 A:HIS588 3.1 28.5 1.0 O A:HOH836 3.5 44.8 1.0 ND1 A:HIS588 4.0 30.8 1.0 CG A:HIS588 4.1 29.2 1.0 O A:HOH765 4.9 49.3 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