Chlorine in PDB 3kan: D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp

The structure of D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp, PDB code: 3kan was solved by S.Zierow, E.Lolis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.06 / 1.13
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	83.286, 83.286, 40.303, 90.00, 90.00, 120.00
R / Rfree (%)	11.2 / 12.9

The binding sites of Chlorine atom in the D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp (pdb code 3kan). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp, PDB code: 3kan:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl118 b:12.3 occ:1.00 OG A:SER63 2.9 9.2 1.0 O A:HOH273 3.0 74.8 1.0 N A:ILE64 3.2 6.7 1.0 NZ A:LYS32 3.3 15.2 1.0 C4 A:RW1120 3.3 8.9 1.0 C5 A:RW1120 3.5 10.6 1.0 N A:PRO1 3.5 7.3 1.0 CA A:SER63 3.7 5.8 1.0 CE A:LYS32 3.7 11.9 1.0 CA A:PRO1 3.7 6.3 1.0 CB A:SER63 3.8 7.0 1.0 N3 A:RW1120 3.9 9.5 1.0 CD A:PRO1 3.9 8.4 1.0 C A:SER63 4.0 5.8 1.0 C6 A:RW1120 4.0 12.5 1.0 CD A:LYS32 4.1 9.8 1.0 CB A:ILE64 4.1 8.7 1.0 CB A:PRO1 4.1 7.1 1.0 CA A:ILE64 4.1 7.4 1.0 CG1 A:ILE64 4.3 11.7 1.0 O A:ILE64 4.3 8.8 1.0 C2 A:RW1120 4.3 12.2 1.0 N1 A:RW1120 4.4 13.0 1.0 CG A:PRO1 4.6 8.2 1.0 C A:ILE64 4.7 6.8 1.0 C7 A:RW1120 4.8 14.7 1.0 C12 A:RW1120 4.8 15.5 1.0 O A:SER62 4.9 6.0 1.0 CG A:LYS32 4.9 8.9 1.0 N A:SER63 5.0 5.0 1.0

Chlorine binding site 2 out of 2 in the D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl118 b:11.4 occ:1.00 OG B:SER63 3.0 8.3 1.0 N B:ILE64 3.2 5.5 1.0 O B:HOH275 3.3 28.8 1.0 NZ B:LYS32 3.3 14.5 1.0 O B:HOH244 3.3 24.0 1.0 C4 B:RW1120 3.4 6.5 1.0 N B:PRO1 3.6 5.6 1.0 C5 B:RW1120 3.6 6.7 1.0 CA B:SER63 3.7 5.1 1.0 CE B:LYS32 3.7 10.1 1.0 CA B:PRO1 3.8 5.1 1.0 CB B:SER63 3.8 6.2 1.0 N3 B:RW1120 3.9 6.8 1.0 CD B:PRO1 3.9 6.3 1.0 CD B:LYS32 3.9 8.8 1.0 C B:SER63 4.0 4.6 1.0 CB B:ILE64 4.1 7.0 1.0 CB B:PRO1 4.2 5.9 1.0 CA B:ILE64 4.2 5.8 1.0 C6 B:RW1120 4.2 7.1 1.0 CG1 B:ILE64 4.2 8.7 1.0 O B:ILE64 4.3 7.5 1.0 C2 B:RW1120 4.4 7.6 1.0 N1 B:RW1120 4.6 8.2 1.0 CG B:PRO1 4.7 6.6 1.0 CG B:LYS32 4.7 7.1 1.0 C B:ILE64 4.8 5.6 1.0 C12 B:RW1120 4.9 9.9 1.0 O B:SER62 4.9 5.7 1.0 CD1 B:ILE64 4.9 11.1 1.0 C7 B:RW1120 4.9 8.0 1.0 N B:SER63 5.0 4.6 1.0

S.Zierow, E.Lolis. Crystal Structure of D-Dopachrome Tautomerase (D-Dt)/Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp To Be Published.