Iron in PDB 2dwh: Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution

The structure of Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution, PDB code: 2dwh was solved by R.Mir, A.S.Ethayathulla, N.Singh, S.Sharma, A.Bhushan, 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 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.584, 50.488, 66.030, 90.00, 107.73, 90.00
R / Rfree (%)	19.4 / 22.8

The structure of Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution (pdb code 2dwh). 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 Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution, PDB code: 2dwh:

Iron binding site 1 out of 1 in the Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe3009 b:26.8 occ:1.00 OH A:TYR526 2.1 21.5 1.0 O2 A:CO32001 2.3 27.4 1.0 OH A:TYR433 2.3 26.6 1.0 OD1 A:ASP395 2.3 20.9 1.0 O1 A:CO32001 2.3 21.7 1.0 NE2 A:HIS595 2.4 21.0 1.0 C A:CO32001 2.6 24.7 1.0 CG A:ASP395 3.1 18.3 1.0 CZ A:TYR526 3.2 22.4 1.0 CD2 A:HIS595 3.3 22.6 1.0 CZ A:TYR433 3.3 25.0 1.0 CE1 A:HIS595 3.3 24.7 1.0 CB A:ASP395 3.6 19.6 1.0 CE1 A:TYR526 3.8 21.0 1.0 O3 A:CO32001 3.9 21.9 1.0 OD2 A:ASP395 3.9 21.6 1.0 O A:HOH3024 3.9 21.1 1.0 CE1 A:TYR433 4.0 23.6 1.0 CE2 A:TYR526 4.1 23.2 1.0 O A:HOH3110 4.1 35.4 1.0 NH2 A:ARG463 4.2 28.7 1.0 CE2 A:TYR433 4.3 23.6 1.0 CB A:THR464 4.4 22.8 1.0 CA A:ASP395 4.4 20.4 1.0 ND1 A:HIS595 4.5 24.6 1.0 CG A:HIS595 4.5 22.5 1.0 OG1 A:THR464 4.6 20.2 1.0 NE A:ARG463 4.7 28.7 1.0 N A:ALA465 4.7 24.6 1.0 N A:THR464 4.8 17.8 1.0 N A:GLY396 4.9 19.4 1.0 CZ A:ARG463 4.9 29.4 1.0

R.Mir, A.S.Ethayathulla, N.Singh, S.Sharma, A.Bhushan, P.Kaur, T.P.Singh. Crystal Structure of N-Acetylglucosamine Complex of Bovine Lactoferrin C-Lobe at 2.8 A Resolution To Be Published.