Iron in PDB 2dwa: Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution

The structure of Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution, PDB code: 2dwa was solved by R.Mir, R.Prem Kumar, N.Singh, M.Sinha, S.Sharma, P.Kaur, A.Bhushan, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.365, 50.383, 65.814, 90.00, 107.72, 90.00
R / Rfree (%)	17.4 / 20.9

The structure of Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution (pdb code 2dwa). 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 Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution, PDB code: 2dwa:

Iron binding site 1 out of 1 in the Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution


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 Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:19.7 occ:1.00 OH A:TYR526 1.9 18.0 1.0 OD1 A:ASP395 2.0 18.3 1.0 OH A:TYR433 2.0 16.6 1.0 O2 A:CO31002 2.1 18.6 1.0 O1 A:CO31002 2.2 18.4 1.0 NE2 A:HIS595 2.2 18.3 1.0 C A:CO31002 2.5 17.0 1.0 CZ A:TYR433 3.0 15.0 1.0 CZ A:TYR526 3.1 15.4 1.0 CG A:ASP395 3.1 14.3 1.0 CD2 A:HIS595 3.2 13.2 1.0 CE1 A:HIS595 3.2 16.4 1.0 CE1 A:TYR433 3.6 15.4 1.0 O3 A:CO31002 3.7 14.3 1.0 CB A:ASP395 3.8 16.1 1.0 CE1 A:TYR526 3.9 15.4 1.0 O A:HOH1014 3.9 18.7 1.0 CE2 A:TYR526 3.9 15.3 1.0 CE2 A:TYR433 4.0 16.2 1.0 O A:HOH1010 4.0 20.2 1.0 OD2 A:ASP395 4.1 18.8 1.0 NH2 A:ARG463 4.3 26.1 1.0 ND1 A:HIS595 4.3 19.3 1.0 CG A:HIS595 4.4 17.0 1.0 CB A:THR464 4.5 16.6 1.0 CA A:ASP395 4.5 16.7 1.0 NE A:ARG463 4.7 24.9 1.0 N A:THR464 4.7 16.7 1.0 N A:ALA465 4.8 16.5 1.0 OG1 A:THR464 4.8 16.5 1.0 CD1 A:TYR433 4.9 19.0 1.0 N A:GLY396 5.0 18.2 1.0 CZ A:ARG463 5.0 27.1 1.0

R.Mir, R.Prem Kumar, N.Singh, M.Sinha, S.Sharma, P.Kaur, A.Bhushan, T.P.Singh. Structure of the Complex of Lactoferrin C-Terminal Half with Fucose at 2.07 A Resolution To Be Published.