Atomistry » Chlorine » PDB 3k9u-3khi » 3ker
Atomistry »
  Chlorine »
    PDB 3k9u-3khi »
      3ker »

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

Enzymatic activity of D-Dopachrome Tautomerase (D-Dt)/ Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp

All present enzymatic activity of D-Dopachrome Tautomerase (D-Dt)/ Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp:
4.1.1.84;

Protein crystallography data

The structure of D-Dopachrome Tautomerase (D-Dt)/ Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp, PDB code: 3ker 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) 31.23 / 2.78
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 82.172, 82.172, 144.253, 90.00, 90.00, 120.00
R / Rfree (%) 22.2 / 23.8

Other elements in 3ker:

The structure of D-Dopachrome Tautomerase (D-Dt)/ Macrophage Migration Inhibitory Factor 2 (MIF2) Complexed with Inhibitor 4-Ipp also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

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 3ker). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 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: 3ker:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 1 out of 12 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:47.0
occ:1.00
 OG A:SER63 3.0 41.0 1.0
N A:ILE64 3.1 43.3 1.0
NZ A:LYS32 3.3 45.8 1.0
C4 A:RW1120 3.5 59.5 1.0
CE A:LYS32 3.5 45.1 1.0
C5 A:RW1120 3.6 62.0 1.0
N A:PRO1 3.6 50.9 1.0
CB A:ILE64 3.7 44.1 1.0
CG1 A:ILE64 3.7 43.9 1.0
CA A:SER63 3.8 41.4 1.0
CD A:LYS32 3.9 43.7 1.0
CA A:ILE64 3.9 44.1 1.0
CB A:SER63 3.9 40.8 1.0
C A:SER63 3.9 42.1 1.0
CD A:PRO1 4.0 47.6 1.0
CG A:PRO1 4.1 47.2 1.0
N3 A:RW1120 4.1 60.0 1.0
CA A:PRO1 4.1 45.7 1.0
CD1 A:ILE64 4.3 43.2 1.0
C6 A:RW1120 4.3 65.7 1.0
O A:ILE64 4.5 41.0 1.0
C2 A:RW1120 4.6 61.9 1.0
CB A:PRO1 4.6 46.2 1.0
CG A:LYS32 4.6 43.3 1.0
C A:ILE64 4.7 44.4 1.0
N1 A:RW1120 4.7 64.6 1.0

Chlorine binding site 2 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 2 out of 12 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
A:Cl119

b:53.4
occ:1.00
 N A:ALA11 2.9 45.0 1.0
CB A:ALA11 3.6 45.4 1.0
CA A:PRO10 3.7 39.8 1.0
C A:PRO10 3.8 42.3 1.0
CA A:ALA11 3.9 47.5 1.0
CA A:GLY44 4.0 31.1 1.0
N A:GLY44 4.1 32.1 1.0
CB A:PRO10 4.2 38.5 1.0
CG A:PRO43 4.3 33.0 1.0
C A:PRO43 4.3 32.8 1.0
O A:PRO43 4.5 32.5 1.0
CB A:PRO43 4.5 33.1 1.0
O A:LEU9 5.0 35.6 1.0
O A:PRO10 5.0 41.7 1.0

Chlorine binding site 3 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 3 out of 12 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 3 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:Cl122

b:47.2
occ:1.00
 N A:LEU47 3.2 32.9 1.0
O A:LEU47 3.3 35.4 1.0
CB A:ASN8 3.5 29.5 1.0
ND2 A:ASN8 3.6 32.0 1.0
CA A:THR46 3.7 31.4 1.0
CB A:THR53 3.9 34.0 1.0
CG2 A:THR46 3.9 29.5 1.0
C A:THR46 3.9 33.1 1.0
O A:THR53 4.0 36.8 1.0
C A:LEU47 4.1 35.1 1.0
CG A:ASN8 4.1 32.0 1.0
CA A:LEU47 4.1 33.5 1.0
O A:MET45 4.2 34.2 1.0
CG2 A:THR53 4.2 32.9 1.0
CB A:THR46 4.3 30.0 1.0
CA A:THR53 4.7 35.7 1.0
OG1 A:THR53 4.7 34.4 1.0
OG1 A:THR46 4.7 31.7 1.0
CB A:LEU47 4.8 32.7 1.0
C A:THR53 4.8 37.0 1.0
N A:THR46 4.8 32.7 1.0
CA A:ASN8 4.8 30.4 1.0
C A:MET45 4.9 33.8 1.0

Chlorine binding site 4 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 4 out of 12 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 4 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:47.0
occ:1.00
 OG B:SER63 3.0 41.0 1.0
N B:ILE64 3.1 43.3 1.0
NZ B:LYS32 3.3 45.8 1.0
C4 B:RW1120 3.5 59.5 1.0
CE B:LYS32 3.5 45.1 1.0
C5 B:RW1120 3.6 62.0 1.0
N B:PRO1 3.6 50.9 1.0
CB B:ILE64 3.7 44.1 1.0
CG1 B:ILE64 3.7 43.9 1.0
CA B:SER63 3.8 41.4 1.0
CD B:LYS32 3.9 43.7 1.0
CA B:ILE64 3.9 44.1 1.0
CB B:SER63 3.9 40.8 1.0
C B:SER63 3.9 42.1 1.0
CD B:PRO1 4.0 47.6 1.0
CG B:PRO1 4.1 47.2 1.0
N3 B:RW1120 4.1 60.0 1.0
CA B:PRO1 4.1 45.7 1.0
CD1 B:ILE64 4.3 43.2 1.0
C6 B:RW1120 4.3 65.7 1.0
O B:ILE64 4.5 41.0 1.0
C2 B:RW1120 4.6 61.9 1.0
CB B:PRO1 4.6 46.2 1.0
CG B:LYS32 4.6 43.3 1.0
C B:ILE64 4.7 44.4 1.0
N1 B:RW1120 4.7 64.6 1.0

Chlorine binding site 5 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 5 out of 12 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 5 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:Cl119

b:53.4
occ:1.00
 N B:ALA11 2.9 45.0 1.0
CB B:ALA11 3.6 45.4 1.0
CA B:PRO10 3.7 39.8 1.0
C B:PRO10 3.8 42.3 1.0
CA B:ALA11 3.9 47.5 1.0
CA B:GLY44 4.0 31.1 1.0
N B:GLY44 4.1 32.1 1.0
CB B:PRO10 4.2 38.5 1.0
CG B:PRO43 4.3 33.0 1.0
C B:PRO43 4.3 32.8 1.0
O B:PRO43 4.5 32.5 1.0
CB B:PRO43 4.5 33.1 1.0
O B:LEU9 5.0 35.6 1.0
O B:PRO10 5.0 41.7 1.0

Chlorine binding site 6 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 6 out of 12 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 6 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:Cl122

b:47.2
occ:1.00
 N B:LEU47 3.2 32.9 1.0
O B:LEU47 3.3 35.4 1.0
CB B:ASN8 3.5 29.5 1.0
ND2 B:ASN8 3.6 32.0 1.0
CA B:THR46 3.7 31.4 1.0
CB B:THR53 3.9 34.0 1.0
CG2 B:THR46 3.9 29.5 1.0
C B:THR46 3.9 33.1 1.0
O B:THR53 4.0 36.8 1.0
C B:LEU47 4.1 35.1 1.0
CG B:ASN8 4.1 32.0 1.0
CA B:LEU47 4.1 33.5 1.0
O B:MET45 4.2 34.2 1.0
CG2 B:THR53 4.2 32.9 1.0
CB B:THR46 4.3 30.0 1.0
CA B:THR53 4.7 35.7 1.0
OG1 B:THR53 4.7 34.4 1.0
OG1 B:THR46 4.7 31.7 1.0
CB B:LEU47 4.8 32.7 1.0
C B:THR53 4.8 37.0 1.0
N B:THR46 4.8 32.7 1.0
CA B:ASN8 4.8 30.4 1.0
C B:MET45 4.9 33.8 1.0

Chlorine binding site 7 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 7 out of 12 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 7 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
C:Cl118

b:47.0
occ:1.00
 OG C:SER63 3.0 41.0 1.0
N C:ILE64 3.1 43.3 1.0
NZ C:LYS32 3.3 45.8 1.0
C4 C:RW1120 3.5 59.5 1.0
CE C:LYS32 3.5 45.1 1.0
C5 C:RW1120 3.6 62.0 1.0
N C:PRO1 3.6 50.9 1.0
CB C:ILE64 3.7 44.1 1.0
CG1 C:ILE64 3.7 43.9 1.0
CA C:SER63 3.8 41.4 1.0
CD C:LYS32 3.9 43.7 1.0
CA C:ILE64 3.9 44.1 1.0
CB C:SER63 3.9 40.8 1.0
C C:SER63 3.9 42.1 1.0
CD C:PRO1 4.0 47.6 1.0
CG C:PRO1 4.1 47.2 1.0
N3 C:RW1120 4.1 60.0 1.0
CA C:PRO1 4.1 45.7 1.0
CD1 C:ILE64 4.3 43.2 1.0
C6 C:RW1120 4.3 65.7 1.0
O C:ILE64 4.5 41.0 1.0
C2 C:RW1120 4.6 61.9 1.0
CB C:PRO1 4.6 46.2 1.0
CG C:LYS32 4.6 43.3 1.0
C C:ILE64 4.7 44.4 1.0
N1 C:RW1120 4.7 64.6 1.0

Chlorine binding site 8 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 8 out of 12 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 8 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
C:Cl119

b:53.4
occ:1.00
 N C:ALA11 2.9 45.0 1.0
CB C:ALA11 3.6 45.4 1.0
CA C:PRO10 3.7 39.8 1.0
C C:PRO10 3.8 42.3 1.0
CA C:ALA11 3.8 47.5 1.0
CA C:GLY44 4.0 31.1 1.0
N C:GLY44 4.1 32.1 1.0
CB C:PRO10 4.1 38.5 1.0
CG C:PRO43 4.3 33.0 1.0
C C:PRO43 4.3 32.8 1.0
O C:PRO43 4.5 32.5 1.0
CB C:PRO43 4.5 33.1 1.0
O C:LEU9 5.0 35.6 1.0
O C:PRO10 5.0 41.7 1.0

Chlorine binding site 9 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 9 out of 12 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 9 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
C:Cl122

b:47.2
occ:1.00
 N C:LEU47 3.2 32.9 1.0
O C:LEU47 3.3 35.4 1.0
CB C:ASN8 3.5 29.5 1.0
ND2 C:ASN8 3.6 32.0 1.0
CA C:THR46 3.7 31.4 1.0
CB C:THR53 3.9 34.0 1.0
CG2 C:THR46 3.9 29.5 1.0
C C:THR46 3.9 33.1 1.0
O C:THR53 4.0 36.8 1.0
C C:LEU47 4.1 35.1 1.0
CG C:ASN8 4.1 32.0 1.0
CA C:LEU47 4.1 33.5 1.0
O C:MET45 4.2 34.2 1.0
CG2 C:THR53 4.2 32.9 1.0
CB C:THR46 4.3 30.0 1.0
CA C:THR53 4.7 35.7 1.0
OG1 C:THR53 4.7 34.4 1.0
OG1 C:THR46 4.7 31.7 1.0
CB C:LEU47 4.8 32.7 1.0
C C:THR53 4.8 37.0 1.0
N C:THR46 4.8 32.7 1.0
CA C:ASN8 4.8 30.4 1.0
C C:MET45 4.9 33.8 1.0

Chlorine binding site 10 out of 12 in 3ker

Go back to Chlorine Binding Sites List in 3ker
Chlorine binding site 10 out of 12 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 10 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
D:Cl118

b:47.0
occ:1.00
 OG D:SER63 3.0 41.0 1.0
N D:ILE64 3.1 43.3 1.0
NZ D:LYS32 3.3 45.8 1.0
C4 D:RW1120 3.5 59.5 1.0
CE D:LYS32 3.5 45.1 1.0
C5 D:RW1120 3.6 62.0 1.0
N D:PRO1 3.6 50.9 1.0
CB D:ILE64 3.7 44.1 1.0
CG1 D:ILE64 3.7 43.9 1.0
CA D:SER63 3.8 41.4 1.0
CD D:LYS32 3.9 43.7 1.0
CA D:ILE64 3.9 44.1 1.0
CB D:SER63 3.9 40.8 1.0
C D:SER63 3.9 42.1 1.0
CD D:PRO1 4.0 47.6 1.0
CG D:PRO1 4.1 47.2 1.0
N3 D:RW1120 4.1 60.0 1.0
CA D:PRO1 4.1 45.7 1.0
CD1 D:ILE64 4.3 43.2 1.0
C6 D:RW1120 4.3 65.7 1.0
O D:ILE64 4.5 41.0 1.0
C2 D:RW1120 4.6 61.9 1.0
CB D:PRO1 4.6 46.2 1.0
CG D:LYS32 4.6 43.3 1.0
C D:ILE64 4.7 44.4 1.0
N1 D:RW1120 4.7 64.6 1.0

Reference:

S.Zierow, E.Lolis. Solution Structure of D-Dt/MIF2 Complexed with 4-Ipp To Be Published.
Page generated: Fri Jul 11 06:58:09 2025

Last articles

Zn in 9QM9
Zn in 9S44
Zn in 9OFE
Zn in 9OFC
Zn in 9OFD
Zn in 9OF1
Zn in 9OFB
Zn in 9N0J
Zn in 9M5X
Zn in 9LGI
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy