Iron in PDB 3e9x: Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution, PDB code: 3e9x was solved by R.Mir, K.Balaji, G.Vikram, M.Sinha, N.Singh, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.570, 50.350, 65.960, 90.00, 107.90, 90.00
R / Rfree (%)	19.7 / 23.5

The structure of Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 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 of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution (pdb code 3e9x). 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 of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution, PDB code: 3e9x:

Iron binding site 1 out of 1 in the Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 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 of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe687 b:28.8 occ:1.00 OH A:TYR526 1.9 23.5 1.0 OD1 A:ASP395 2.1 28.0 1.0 OH A:TYR433 2.1 32.4 1.0 NE2 A:HIS595 2.2 23.4 1.0 O1 A:CO3688 2.3 30.6 1.0 O2 A:CO3688 2.3 38.4 1.0 C A:CO3688 2.7 34.7 1.0 CZ A:TYR526 2.9 20.7 1.0 CZ A:TYR433 3.0 34.2 1.0 CE1 A:HIS595 3.1 23.4 1.0 CG A:ASP395 3.2 26.3 1.0 CD2 A:HIS595 3.4 25.5 1.0 CE1 A:TYR526 3.6 19.9 1.0 CE2 A:TYR526 3.8 20.0 1.0 CE1 A:TYR433 3.8 33.6 1.0 O A:HOH718 3.9 28.1 1.0 CE2 A:TYR433 3.9 34.2 1.0 CB A:ASP395 3.9 26.9 1.0 O3 A:CO3688 3.9 35.7 1.0 NH2 A:ARG463 4.0 36.1 1.0 OD2 A:ASP395 4.1 26.2 1.0 ND1 A:HIS595 4.2 22.9 1.0 O A:HOH693 4.3 23.7 1.0 CG A:HIS595 4.4 23.4 1.0 CB A:THR464 4.5 23.2 1.0 NE A:ARG463 4.5 34.8 1.0 CA A:ASP395 4.7 29.0 1.0 N A:ALA465 4.7 27.1 1.0 CZ A:ARG463 4.7 35.7 1.0 N A:THR464 4.8 25.3 1.0 CD1 A:TYR526 4.8 19.3 1.0 OG1 A:THR464 4.9 22.2 1.0 CD2 A:TYR526 5.0 17.7 1.0

R.Mir, K.Balaji, G.Vikram, M.Sinha, N.Singh, A.Bhushan, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of the Complex of C-Lobe of Lactoferrin with Nimesulide at 2.7 A Resolution To Be Published.