Chlorine in PDB 3hwg: Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2

The structure of Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2, PDB code: 3hwg was solved by M.C.Clifton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.93 / 2.19
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.084, 114.084, 118.422, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 26.8

The structure of Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2 also contains other interesting chemical elements:

Iron	(Fe)	3 atoms
Sodium	(Na)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2 (pdb code 3hwg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2, PDB code: 3hwg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Siderocalin (Ngal, Lipocalin 2) Complexed with Fe-Trencam-HOPO2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl181 b:57.8 occ:1.00 NZ C:LYS157 3.2 33.9 1.0 N C:GLU163 3.7 29.8 1.0 CA C:PRO162 3.9 28.6 1.0 CG C:GLU163 4.0 33.2 1.0 CB C:PRO162 4.2 28.5 1.0 C C:PRO162 4.3 29.1 1.0 CB C:GLU163 4.5 31.1 1.0 CE C:LYS157 4.6 31.9 1.0 CA C:GLU163 4.7 30.5 1.0

M.C.Clifton, P.B.Rupert, T.M.Hoette, K.N.Raymond, R.J.Abergel, R.K.Strong. Parsing the Functional Specificity of Siderocalin / Lipocalin 2 / Ngal For Siderophores and Related Small-Molecule Ligands To Be Published.