Chlorine in PDB 3tf6: Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2

The structure of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2, PDB code: 3tf6 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.95 / 2.35
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.090, 114.090, 118.190, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 21.6

The structure of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 also contains other interesting chemical elements:

Europium

(Eu)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 (pdb code 3tf6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2, PDB code: 3tf6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2


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 Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl183 b:62.5 occ:1.00 N A:SER146 3.5 42.1 1.0 OG A:SER146 3.9 50.4 1.0 CA A:THR145 3.9 39.9 1.0 CB A:THR145 4.0 40.2 1.0 CB A:SER146 4.0 48.0 1.0 C A:THR145 4.2 40.1 1.0 CG2 A:THR145 4.4 39.0 1.0 CA A:SER146 4.4 44.0 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl183 b:70.7 occ:1.00 NZ B:LYS75 3.4 72.7 1.0 CE B:LYS75 4.2 70.8 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl185 b:57.5 occ:1.00 N C:SER146 3.4 27.6 1.0 OG C:SER146 3.7 29.5 1.0 CA C:THR145 3.9 30.4 1.0 CB C:SER146 3.9 28.2 1.0 CB C:THR145 4.1 31.1 1.0 C C:THR145 4.2 29.4 1.0 CA C:SER146 4.3 27.5 1.0 CG2 C:THR145 4.5 30.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl186 b:58.5 occ:1.00 N C:GLU163 3.6 30.5 1.0 CA C:PRO162 3.8 29.1 1.0 CB C:PRO162 3.9 30.0 1.0 O C:HOH233 4.1 48.7 1.0 CE C:LYS157 4.2 35.9 1.0 CB C:GLU163 4.3 31.9 1.0 C C:PRO162 4.3 28.9 1.0 NZ C:LYS157 4.5 39.0 1.0 CA C:GLU163 4.6 30.6 1.0 CD C:LYS157 4.9 32.8 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Neutrophil Gelatinase-Associated Lipocalin (C87S Mutant) in Complex with Europium and the Siderophore Analog Tren(Cam)(1,2-Hopo)2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl187 b:75.7 occ:1.00 CE C:MET120 3.7 26.3 1.0 O C:HOH235 4.2 37.2 1.0 CG1 C:VAL111 4.4 15.4 1.0 CD1 C:PHE155 4.4 21.4 1.0 OD1 C:ASN151 4.7 45.9 1.0 OG C:SER112 4.7 28.1 1.0 CG C:PHE155 4.7 20.9 1.0 CE1 C:PHE155 4.9 20.7 1.0 CG C:PRO17 4.9 20.4 1.0 CB C:PHE155 4.9 20.7 1.0 O C:HOH234 4.9 43.4 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 V. 7.