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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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: Sat Jul 20 22:36:57 2024

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