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Iron in PDB 4ned: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution

Protein crystallography data

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution, PDB code: 4ned was solved by L.Gautam, D.Dube, M.Sinha, 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) 37.89 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.470, 50.070, 65.490, 90.00, 107.32, 90.00
R / Rfree (%) 22.3 / 25.2

Other elements in 4ned:

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution (pdb code 4ned). 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 C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution, PDB code: 4ned:

Iron binding site 1 out of 1 in 4ned

Go back to Iron Binding Sites List in 4ned
Iron binding site 1 out of 1 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom 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 C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe702

b:27.3
occ:1.00
OH A:TYR526 1.8 24.6 1.0
OD1 A:ASP395 2.0 21.2 1.0
NE2 A:HIS595 2.2 22.2 1.0
OH A:TYR433 2.2 25.3 1.0
O1 A:CO3703 2.2 26.2 1.0
O2 A:CO3703 2.4 25.7 1.0
C A:CO3703 2.7 24.4 1.0
CZ A:TYR526 2.9 27.6 1.0
CZ A:TYR433 3.1 29.2 1.0
CD2 A:HIS595 3.1 22.0 1.0
CE1 A:HIS595 3.1 24.5 1.0
CG A:ASP395 3.1 22.2 1.0
CE2 A:TYR433 3.6 27.8 1.0
CE1 A:TYR526 3.7 25.5 1.0
O A:HOH819 3.8 25.8 1.0
CE2 A:TYR526 3.9 16.3 1.0
CB A:ASP395 3.9 24.5 1.0
O3 A:CO3703 3.9 21.9 1.0
OD2 A:ASP395 4.1 23.8 1.0
CE1 A:TYR433 4.1 28.2 1.0
O A:HOH816 4.1 26.8 1.0
NH2 A:ARG463 4.2 40.2 1.0
ND1 A:HIS595 4.3 25.3 1.0
CG A:HIS595 4.3 23.6 1.0
CA A:ASP395 4.5 27.1 1.0
CB A:THR464 4.5 27.6 1.0
N A:THR464 4.6 25.4 1.0
NE A:ARG463 4.6 34.3 1.0
N A:ALA465 4.7 24.7 1.0
OG1 A:THR464 4.8 27.9 1.0
N A:GLY396 4.8 28.0 1.0
CD2 A:TYR433 4.8 29.8 1.0
CZ A:ARG463 4.9 36.5 1.0
CA A:THR464 5.0 25.7 1.0

Reference:

L.Gautam, D.Dube, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Fenoprofen at 2.1 Angstrom Resolution To Be Published.
Page generated: Sun Dec 13 15:42:42 2020

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