Chlorine in PDB 4n4d: Structure of Thit with Av-38 Bound

The structure of Structure of Thit with Av-38 Bound, PDB code: 4n4d was solved by L.J.Y.M.Swier, A.Guskov, D.J.Slotboom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.30 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.160, 84.260, 127.250, 90.00, 94.17, 90.00
R / Rfree (%)	20.4 / 25.7

The binding sites of Chlorine atom in the Structure of Thit with Av-38 Bound (pdb code 4n4d). 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 Structure of Thit with Av-38 Bound, PDB code: 4n4d:

Chlorine binding site 1 out of 1 in the Structure of Thit with Av-38 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Thit with Av-38 Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl212 b:76.5 occ:1.00 N B:TRP34 3.1 62.4 1.0 NE1 B:TRP138 3.5 52.0 1.0 CA B:GLY33 3.6 52.8 1.0 CZ2 B:TRP138 3.7 52.7 1.0 C B:GLY33 3.9 62.0 1.0 CE2 B:TRP138 4.0 51.1 1.0 CB B:TRP34 4.1 54.4 1.0 CA B:TRP34 4.1 52.5 1.0 O B:TYR32 4.3 54.4 1.0 N B:GLY33 4.4 54.7 1.0 CD1 B:TYR32 4.4 51.4 1.0 CD1 B:TRP34 4.5 50.5 1.0 CE1 B:TYR32 4.5 46.7 1.0 CG1 B:ILE35 4.6 51.9 1.0 N B:ILE35 4.6 52.7 1.0 CD1 B:ILE35 4.6 53.4 1.0 OH B:TYR146 4.6 47.3 1.0 CG2 B:VAL150 4.7 45.5 1.0 C B:TRP34 4.7 49.9 1.0 C B:TYR32 4.7 56.6 1.0 CG B:TRP34 4.7 58.4 1.0 CD1 B:TRP138 4.7 52.4 1.0 C1' B:BNG203 4.8 59.2 1.0 CH2 B:TRP138 5.0 50.9 1.0

L.J.Y.M.Swier, L.Gomez, A.Guskov, A.K.H.Hirsch, D.J.Slotboom. Structural Studies on the Thiamine Binding Protein Thit To Be Published.