Iron in PDB 3k0v: Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution

The structure of Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution, PDB code: 3k0v was solved by R.Mir, G.Vikram, 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)	62.00 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.810, 50.134, 65.545, 90.00, 107.10, 90.00
R / Rfree (%)	20.7 / 23.7

The structure of Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution (pdb code 3k0v). 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 Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution, PDB code: 3k0v:

Iron binding site 1 out of 1 in the Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Removal of Sugars and Sugars-Like Molecules From the Solution By C- Lobe of Lactoferrin: Crystal Structure of the Complex of C-Lobe with Beta-D-Glucopyranosyl-(1->4)-Beta-D-Galactopyranosyl-(1->4)-Alpha-D- Glucopyranose at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe84 b:13.2 occ:1.00 OH A:TYR433 2.0 13.2 1.0 OH A:TYR526 2.0 12.9 1.0 OD1 A:ASP395 2.1 14.1 1.0 O2 A:CO385 2.2 14.3 1.0 O1 A:CO385 2.2 13.3 1.0 NE2 A:HIS595 2.3 10.4 1.0 C A:CO385 2.5 13.5 1.0 CZ A:TYR433 3.0 15.4 1.0 CD2 A:HIS595 3.1 9.9 1.0 CZ A:TYR526 3.1 11.7 1.0 CG A:ASP395 3.2 13.4 1.0 CE1 A:HIS595 3.3 10.5 1.0 CE1 A:TYR433 3.6 13.9 1.0 CB A:ASP395 3.7 12.8 1.0 O3 A:CO385 3.8 12.6 1.0 O A:HOH820 3.8 12.0 1.0 CE1 A:TYR526 3.8 11.2 1.0 O A:HOH851 3.9 13.6 1.0 CE2 A:TYR433 4.0 15.2 1.0 CE2 A:TYR526 4.1 10.4 1.0 OD2 A:ASP395 4.2 13.5 1.0 CG A:HIS595 4.3 11.9 1.0 CB A:THR464 4.4 11.8 1.0 NH2 A:ARG463 4.4 15.8 1.0 ND1 A:HIS595 4.4 12.8 1.0 CA A:ASP395 4.4 13.0 1.0 N A:THR464 4.6 11.8 1.0 N A:ALA465 4.7 12.5 1.0 OG1 A:THR464 4.7 12.9 1.0 NE A:ARG463 4.7 15.4 1.0 CD1 A:TYR433 4.8 15.1 1.0 N A:GLY396 5.0 12.8 1.0 CA A:THR464 5.0 12.2 1.0

R.Mir, R.P.Kumar, N.Singh, G.P.Vikram, M.Sinha, A.Bhushan, P.Kaur, A.Srinivasan, S.Sharma, T.P.Singh. Specific Interactions of C-Terminal Half (C-Lobe) of Lactoferrin Protein with Edible Sugars: Binding and Structural Studies with Implications on Diabetes. Int.J.Biol.Macromol. V. 47 50 2010.
ISSN: ISSN 0141-8130
PubMed: 20371371
DOI: 10.1016/J.IJBIOMAC.2010.03.021