Zinc 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:

Iron

(Fe)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where 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:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn692 b:37.5 occ:1.00 OE2 A:GLU659 2.2 34.4 1.0 OE1 A:GLU659 2.5 33.5 1.0 CD A:GLU659 2.7 32.2 1.0 O A:GLY653 3.3 34.6 1.0 CG A:GLU659 4.2 26.4 1.0 O A:ARG654 4.3 31.3 1.0 C A:GLY653 4.5 33.9 1.0 CA A:PRO655 4.5 27.4 1.0 N A:THR656 4.8 24.3 1.0 C A:ARG654 4.8 31.4 1.0 CB A:GLU659 4.9 24.4 1.0

Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn binding site number 2 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:Zn4 b:37.4 occ:1.00 O A:HOH280 1.8 29.7 1.0 NE2 A:HIS588 2.1 30.6 1.0 O A:HOH279 2.3 40.0 1.0 CE1 A:HIS588 3.0 28.1 1.0 O A:HOH198 3.1 42.3 1.0 CD2 A:HIS588 3.2 28.0 1.0 CG1 A:VAL591 4.1 25.2 1.0 ND1 A:HIS588 4.2 25.9 1.0 CG A:HIS588 4.3 23.0 1.0 O A:HOH51 4.8 42.0 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