Chlorine 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
Zinc	(Zn)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl701 b:71.8 occ:1.00 CL2 A:DIF701 0.0 71.8 1.0 C2 A:DIF701 1.7 71.4 1.0 C1 A:DIF701 2.7 71.4 1.0 C3 A:DIF701 2.8 71.5 1.0 O A:HOH793 2.9 41.3 1.0 N1 A:DIF701 3.1 71.3 1.0 C8 A:DIF701 3.4 71.2 1.0 C9 A:DIF701 3.4 71.2 1.0 O A:LEU661 3.7 16.3 1.0 C6 A:DIF701 4.0 71.2 1.0 C4 A:DIF701 4.0 71.6 1.0 O A:HOH873 4.1 30.3 1.0 O A:HOH310 4.3 37.2 1.0 C A:LEU661 4.3 15.8 1.0 C7 A:DIF701 4.4 71.1 1.0 O A:TYR660 4.4 13.9 1.0 C10 A:DIF701 4.4 71.2 1.0 CB A:PRO593 4.5 12.4 1.0 C5 A:DIF701 4.5 71.5 1.0 CA A:GLY662 4.6 18.7 1.0 N A:GLY662 4.8 16.7 1.0 CA A:PRO593 4.8 12.3 1.0 O A:HOH848 4.9 41.4 1.0 N A:PRO593 4.9 12.5 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl701 b:72.3 occ:1.00 CL4 A:DIF701 0.0 72.3 1.0 C4 A:DIF701 1.7 71.6 1.0 C5 A:DIF701 2.7 71.5 1.0 C3 A:DIF701 2.7 71.5 1.0 N1 A:DIF701 2.9 71.3 1.0 O A:GLU659 3.1 13.7 1.0 O A:HOH805 3.6 37.3 1.0 C8 A:DIF701 4.0 71.2 1.0 C6 A:DIF701 4.0 71.2 1.0 C2 A:DIF701 4.0 71.4 1.0 C A:GLU659 4.1 13.3 1.0 O A:TYR660 4.4 13.9 1.0 CA A:TYR660 4.4 13.0 1.0 C1 A:DIF701 4.5 71.4 1.0 C13 A:DIF701 4.6 71.0 1.0 N A:TYR660 4.7 12.7 1.0 C7 A:DIF701 4.7 71.1 1.0 O A:HOH220 4.7 27.8 1.0 C A:TYR660 4.7 13.4 1.0 O A:HOH327 4.7 42.0 1.0 C9 A:DIF701 4.8 71.2 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