Iron in PDB 3ib2: Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid

The structure of Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid, PDB code: 3ib2 was solved by R.Mir, G.Vikram, R.P.Kumar, M.Sinha, N.Singh, S.Sharma, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.319, 50.480, 66.116, 90.00, 107.75, 90.00
R / Rfree (%)	16.5 / 22

The structure of Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid (pdb code 3ib2). 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 Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid, PDB code: 3ib2:

Iron binding site 1 out of 1 in the Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Complex of C-Terminal Half (C-Lobe) of Bovine Lactoferrin with Alpha-Methyl-4-(2-Methylpropyl) Benzene Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:19.1 occ:1.00 OD1 A:ASP395 1.9 14.7 1.0 OH A:TYR526 1.9 16.7 1.0 OH A:TYR433 1.9 17.3 1.0 O2 A:CO3691 2.3 15.4 1.0 O1 A:CO3691 2.4 14.9 1.0 NE2 A:HIS595 2.4 12.7 1.0 C A:CO3691 2.7 13.2 1.0 CZ A:TYR526 3.0 14.8 1.0 CG A:ASP395 3.0 13.4 1.0 CZ A:TYR433 3.0 14.3 1.0 CE1 A:HIS595 3.3 13.1 1.0 CD2 A:HIS595 3.3 7.9 1.0 CE1 A:TYR433 3.6 14.9 1.0 CB A:ASP395 3.7 14.0 1.0 CE1 A:TYR526 3.8 17.1 1.0 O A:HOH9 3.8 23.1 1.0 O3 A:CO3691 3.9 11.0 1.0 CE2 A:TYR526 3.9 11.4 1.0 CE2 A:TYR433 4.0 14.1 1.0 OD2 A:ASP395 4.0 13.2 1.0 O A:HOH694 4.2 23.1 1.0 NH2 A:ARG463 4.4 15.5 1.0 CB A:THR464 4.4 12.4 1.0 ND1 A:HIS595 4.4 12.4 1.0 CG A:HIS595 4.5 12.1 1.0 CA A:ASP395 4.5 15.6 1.0 N A:ALA465 4.6 11.2 1.0 OG1 A:THR464 4.7 9.3 1.0 N A:THR464 4.7 13.1 1.0 NE A:ARG463 4.8 19.1 1.0 CD1 A:TYR433 4.9 16.6 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