Iron 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:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was 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:

Iron binding site 1 out of 1 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 Iron with other atoms in the Fe 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:Fe999 b:9.7 occ:1.00 OH A:TYR433 2.0 9.6 1.0 OH A:TYR526 2.0 10.2 1.0 O2 A:CO3687 2.1 11.0 1.0 NE2 A:HIS595 2.1 9.3 1.0 OD1 A:ASP395 2.2 10.3 1.0 O1 A:CO3687 2.2 11.8 1.0 C A:CO3687 2.5 10.9 1.0 CE1 A:HIS595 3.0 9.5 1.0 CZ A:TYR433 3.0 9.0 1.0 CZ A:TYR526 3.1 9.3 1.0 CG A:ASP395 3.2 9.6 1.0 CD2 A:HIS595 3.2 9.7 1.0 CE1 A:TYR433 3.6 8.8 1.0 O3 A:CO3687 3.8 10.9 1.0 CB A:ASP395 3.8 10.0 1.0 CE1 A:TYR526 3.8 8.8 1.0 O A:HOH46 3.8 12.3 1.0 O A:HOH15 3.9 10.1 1.0 CE2 A:TYR433 4.0 10.5 1.0 CE2 A:TYR526 4.0 8.8 1.0 ND1 A:HIS595 4.1 9.9 1.0 OD2 A:ASP395 4.2 10.0 1.0 CG A:HIS595 4.3 8.8 1.0 NH2 A:ARG463 4.3 13.1 1.0 CB A:THR464 4.4 9.7 1.0 CA A:ASP395 4.5 10.0 1.0 N A:THR464 4.6 9.7 1.0 NE A:ARG463 4.7 12.6 1.0 N A:ALA465 4.7 9.8 1.0 OG1 A:THR464 4.7 10.2 1.0 CD1 A:TYR433 4.9 10.4 1.0 N A:GLY396 5.0 10.1 1.0 CZ A:ARG463 5.0 13.3 1.0 CA A:THR464 5.0 10.0 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