Chlorine in PDB 8fxj: Crystal Structure of FAB460

The structure of Crystal Structure of FAB460, PDB code: 8fxj was solved by K.Tan, M.Kim, E.L.Reinherz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.44 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	129.546, 129.546, 96.808, 90, 90, 120
R / Rfree (%)	16.7 / 19.4

The binding sites of Chlorine atom in the Crystal Structure of FAB460 (pdb code 8fxj). 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 FAB460, PDB code: 8fxj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of FAB460


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 FAB460 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl308 b:78.3 occ:1.00 O L:HOH475 3.2 48.7 1.0 N L:SER42 3.3 33.8 1.0 OG L:SER42 3.5 45.4 1.0 CB L:SER42 3.7 37.8 1.0 CB L:SER41 3.8 43.4 1.0 CA L:SER41 4.1 37.4 1.0 CA L:SER42 4.1 32.2 1.0 C L:SER41 4.2 37.4 1.0 O L:SER42 4.8 31.6 1.0 CA H:GLN113 4.8 33.1 1.0 C L:SER42 5.0 33.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of FAB460


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 FAB460 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl311 b:60.4 occ:1.00 OH H:TYR153 2.8 30.4 1.0 OE1 H:GLU156 3.0 47.8 1.0 N H:VAL158 3.3 34.0 1.0 CA H:PRO157 3.4 34.4 1.0 CG H:GLU156 3.7 32.8 1.0 O H:HOH465 3.7 50.3 1.0 CZ H:TYR153 3.7 30.5 1.0 C H:PRO157 3.8 37.3 1.0 CD H:GLU156 3.8 50.5 1.0 CE2 H:TYR153 3.8 30.8 1.0 CB H:ALA176 3.8 34.2 1.0 CB H:GLU156 3.9 35.8 1.0 CB H:PRO157 4.0 36.7 1.0 CD2 H:LEU186 4.0 32.2 1.0 CG2 H:VAL158 4.2 39.2 1.0 O H:VAL158 4.2 39.8 1.0 CA H:GLU156 4.3 34.6 1.0 CA H:VAL158 4.4 38.8 1.0 N H:PRO157 4.6 31.1 1.0 CB H:VAL158 4.8 42.7 1.0 C H:VAL158 4.8 37.8 1.0 O H:PRO157 5.0 35.3 1.0 CA H:ALA176 5.0 34.4 1.0 C H:GLU156 5.0 32.6 1.0 CG1 H:VAL158 5.0 35.1 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of FAB460


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 FAB460 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl312 b:71.9 occ:1.00 N H:THR124 3.2 29.2 1.0 OG1 H:THR124 3.5 38.5 1.0 O H:HOH514 3.6 61.8 1.0 CG2 H:THR124 3.7 32.2 1.0 CA H:SER123 3.7 33.2 1.0 C H:SER123 4.0 35.0 1.0 CB H:SER123 4.0 40.2 1.0 CB H:THR124 4.0 37.0 1.0 CA H:THR124 4.2 35.0 1.0 OG H:SER123 4.4 57.3 1.0 O H:THR124 4.9 33.7 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of FAB460


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 FAB460 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl313 b:73.5 occ:1.00 N H:GLY8 3.4 36.2 1.0 CA H:SER7 4.0 34.9 1.0 CB H:SER7 4.2 37.0 1.0 C H:SER7 4.2 37.2 1.0 CA H:GLY8 4.3 37.9 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of FAB460


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 FAB460 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl314 b:87.5 occ:1.00 O H:HOH446 3.3 34.0 1.0 O H:SER88 3.6 36.5 1.0 NH2 H:ARG40 4.3 60.8 1.0 C H:SER88 4.3 32.7 1.0 CB H:SER88 4.4 30.8 1.0 O H:HOH443 4.5 43.5 1.0 CB H:THR91 4.5 29.4 1.0 CG2 H:THR91 4.8 29.2 1.0 CA H:SER88 4.8 31.0 1.0

K.Tan, M.Kim, E.L.Reinherz. Crystal Structure of FAB460 To Be Published.