Iron 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:

Chlorine	(Cl)	1 atom
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 Indomethacin (pdb code 3ib1). 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 Indomethacin, PDB code: 3ib1:

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 Indomethacin


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 Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe690 b:18.5 occ:1.00 OD1 A:ASP395 1.8 7.5 1.0 OH A:TYR526 1.9 17.7 1.0 O1 A:CO3691 2.0 16.0 1.0 OH A:TYR433 2.0 17.6 1.0 NE2 A:HIS595 2.2 14.8 1.0 O2 A:CO3691 2.3 14.2 1.0 C A:CO3691 2.5 14.4 1.0 CE1 A:HIS595 3.0 20.6 1.0 CZ A:TYR433 3.1 22.4 1.0 CG A:ASP395 3.1 17.0 1.0 CZ A:TYR526 3.1 21.7 1.0 CD2 A:HIS595 3.3 16.5 1.0 CE2 A:TYR433 3.7 20.9 1.0 O3 A:CO3691 3.7 10.0 1.0 O A:HOH717 3.8 27.0 1.0 CB A:ASP395 3.8 16.7 1.0 CE1 A:TYR433 4.0 21.6 1.0 CE2 A:TYR526 4.0 19.0 1.0 CE1 A:TYR526 4.0 18.8 1.0 OD2 A:ASP395 4.0 16.5 1.0 ND1 A:HIS595 4.2 17.6 1.0 O A:HOH720 4.2 27.4 1.0 CG A:HIS595 4.3 19.6 1.0 CA A:ASP395 4.5 18.6 1.0 CB A:THR464 4.6 21.3 1.0 NH2 A:ARG463 4.6 29.1 1.0 N A:THR464 4.8 20.9 1.0 N A:ALA465 4.8 20.7 1.0 NE A:ARG463 4.8 27.9 1.0 OG1 A:THR464 5.0 22.0 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