Iron in PDB 2dwi: Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution

The structure of Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution, PDB code: 2dwi was solved by R.Prem Kumar, R.Mir, M.Sinha, N.Singh, 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 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.472, 50.439, 65.930, 90.00, 107.78, 90.00
R / Rfree (%)	18.4 / 22.1

The structure of Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution (pdb code 2dwi). 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 the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution, PDB code: 2dwi:

Iron binding site 1 out of 1 in the Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 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 the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:15.3 occ:1.00 OH A:TYR526 1.9 13.6 1.0 OD1 A:ASP395 2.0 11.5 1.0 OH A:TYR433 2.0 13.0 1.0 O2 A:CO31002 2.1 15.5 1.0 NE2 A:HIS595 2.3 13.8 1.0 O1 A:CO31002 2.3 14.8 1.0 C A:CO31002 2.6 13.6 1.0 CZ A:TYR433 3.0 14.1 1.0 CZ A:TYR526 3.1 9.9 1.0 CG A:ASP395 3.2 10.8 1.0 CD2 A:HIS595 3.2 12.1 1.0 CE1 A:HIS595 3.3 10.8 1.0 CE1 A:TYR433 3.7 13.4 1.0 O3 A:CO31002 3.9 12.0 1.0 CE1 A:TYR526 3.9 11.0 1.0 CB A:ASP395 3.9 11.8 1.0 O A:HOH1031 3.9 17.8 1.0 CE2 A:TYR526 3.9 9.1 1.0 CE2 A:TYR433 4.0 10.4 1.0 O A:HOH1008 4.0 13.0 1.0 OD2 A:ASP395 4.1 13.0 1.0 CG A:HIS595 4.4 12.8 1.0 NH2 A:ARG463 4.4 21.6 1.0 ND1 A:HIS595 4.4 14.4 1.0 CA A:ASP395 4.5 14.3 1.0 CB A:THR464 4.6 11.8 1.0 NE A:ARG463 4.8 19.1 1.0 N A:ALA465 4.8 11.1 1.0 N A:THR464 4.8 11.4 1.0 CD1 A:TYR433 4.9 15.8 1.0 N A:GLY396 5.0 13.7 1.0 OG1 A:THR464 5.0 10.9 1.0

R.Prem Kumar, R.Mir, M.Sinha, N.Singh, S.Sharma, P.Kaur, A.Bhushan, T.P.Singh. Crystal Structure of the Complex Formed Between C-Terminal Half of Bovine Lactoferrin and Cellobiose at 2.2 A Resolution To Be Published.