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Chlorine in PDB 4gru: Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif

Enzymatic activity of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif

All present enzymatic activity of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif:
5.3.2.1; 5.3.3.12;

Protein crystallography data

The structure of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif, PDB code: 4gru was solved by C.Fan, E.Lolis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.92
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.562, 95.562, 103.778, 90.00, 90.00, 120.00
R / Rfree (%) 20.1 / 23

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif (pdb code 4gru). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif, PDB code: 4gru:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4gru

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Chlorine binding site 1 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:57.7
occ:1.00
 N A:GLY17 3.4 23.6 1.0
N A:PHE18 3.4 22.7 1.0
O A:HOH303 3.6 23.1 1.0
N A:LEU19 3.6 20.2 1.0
O A:PRO15 4.0 24.7 1.0
CA A:GLY17 4.0 25.1 1.0
C A:GLY17 4.0 24.3 1.0
CG A:LEU19 4.1 26.4 1.0
CB A:LEU19 4.2 23.3 1.0
CA A:PHE18 4.2 21.6 1.0
CB A:PHE18 4.3 23.9 1.0
C A:ASP16 4.3 24.9 1.0
CA A:ASP16 4.4 25.9 1.0
C A:PHE18 4.5 20.1 1.0
CD1 A:LEU19 4.5 28.0 1.0
CA A:LEU19 4.6 21.5 1.0
CD1 C:LEU46 4.9 21.9 0.7
C A:PRO15 4.9 25.1 1.0
OD1 A:ASP16 5.0 28.0 1.0
NH2 A:ARG11 5.0 47.4 1.0

Chlorine binding site 2 out of 12 in 4gru

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Chlorine binding site 2 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:29.8
occ:1.00
 O C:HOH304 3.0 25.5 1.0
ND2 A:ASN105 3.1 25.9 1.0
N A:ASN102 3.1 22.1 1.0
CB A:ASN102 3.7 20.8 0.5
CG A:ASN102 3.8 20.3 0.5
CA A:MET101 3.9 20.3 1.0
CB A:ASN105 3.9 22.7 1.0
CG A:ASN105 4.0 25.7 1.0
C A:MET101 4.0 21.8 1.0
OD1 A:ASN102 4.0 22.6 0.5
CA A:ASN102 4.0 22.3 1.0
O A:HOH342 4.0 34.1 1.0
O A:HOH347 4.0 32.8 1.0
CE A:MET101 4.1 22.0 1.0
SD A:MET101 4.2 23.4 1.0
O A:ASP100 4.3 21.6 1.0
ND2 A:ASN102 4.4 20.8 0.5
CB A:MET101 4.6 21.4 1.0
O C:HOH308 4.6 28.3 1.0
O A:ASN102 4.6 20.9 1.0
O A:HOH407 4.7 33.0 1.0
C A:ASN102 4.8 21.2 1.0
O A:HOH405 4.9 38.4 1.0
O C:TYR98 4.9 23.2 1.0
N A:MET101 5.0 20.7 1.0

Chlorine binding site 3 out of 12 in 4gru

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Chlorine binding site 3 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:31.0
occ:1.00
 N A:PRO1 3.2 26.6 1.0
NZ A:LYS32 3.2 36.7 1.0
N A:ILE64 3.3 22.0 1.0
C2 C:DIO204 3.3 37.6 1.0
CD A:PRO1 3.4 27.1 1.0
CA A:PRO1 3.7 24.9 1.0
CG1 A:ILE64 3.7 20.6 1.0
O1 C:DIO204 3.8 37.4 1.0
CB A:ILE64 3.8 21.7 1.0
CA A:SER63 4.0 21.7 1.0
CE A:LYS32 4.0 36.0 1.0
CD A:LYS32 4.0 35.5 1.0
OG A:SER63 4.0 23.2 1.0
C A:SER63 4.1 22.8 1.0
CD1 A:ILE64 4.1 20.5 1.0
CA A:ILE64 4.1 22.7 1.0
CB A:PRO1 4.3 26.6 1.0
CG A:PRO1 4.5 30.1 1.0
CB A:SER63 4.5 22.5 1.0
O A:ILE64 4.6 24.8 1.0
C2' C:DIO204 4.6 37.1 1.0
C A:ILE64 4.8 24.5 1.0
C1 C:DIO204 5.0 35.8 1.0

Chlorine binding site 4 out of 12 in 4gru

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Chlorine binding site 4 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:40.0
occ:1.00
 NE2 A:GLN71 3.4 32.4 1.0
CG A:GLN71 3.4 29.1 1.0
N A:GLN71 3.4 24.0 1.0
C A:GLY68 3.5 28.0 1.0
N A:ALA70 3.5 24.9 1.0
CA A:GLY68 3.6 28.2 1.0
N A:GLY69 3.6 27.6 1.0
CD A:GLN71 3.9 30.3 1.0
CB A:GLN71 3.9 24.9 1.0
O A:GLY68 4.0 27.5 1.0
CB A:ALA70 4.1 25.9 1.0
CA A:ALA70 4.1 24.5 1.0
C A:GLY69 4.2 26.2 1.0
N A:GLY68 4.2 28.2 1.0
C A:ALA70 4.3 22.8 1.0
CA A:GLN71 4.3 23.3 1.0
CA A:GLY69 4.3 26.6 1.0
C A:ILE67 4.9 27.1 1.0

Chlorine binding site 5 out of 12 in 4gru

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Chlorine binding site 5 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:58.8
occ:1.00
 CA A:GLN71 3.9 23.3 1.0
O A:ALA70 3.9 22.1 1.0
N A:GLN71 3.9 24.0 1.0
C A:ALA70 3.9 22.8 1.0
CG A:GLN71 4.1 29.1 1.0
O A:HOH412 4.1 34.6 1.0
CB A:ALA70 4.1 25.9 1.0
O A:HOH404 4.2 40.5 1.0
CB A:SER74 4.4 26.1 1.0
CB A:GLN71 4.5 24.9 1.0
CA A:ALA70 4.7 24.5 1.0
OG A:SER74 4.9 28.3 1.0

Chlorine binding site 6 out of 12 in 4gru

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Chlorine binding site 6 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:40.0
occ:1.00
 N B:ASP16 3.1 24.6 1.0
O B:HOH306 3.6 22.6 1.0
CA B:PRO15 3.6 22.7 1.0
OD2 B:ASP16 3.7 33.6 1.0
CG B:ASP16 3.8 31.9 1.0
C B:PRO15 3.9 23.8 1.0
CB B:PRO15 3.9 23.7 1.0
CB B:ASP16 4.0 30.1 1.0
CA B:ASP16 4.1 29.1 1.0
O B:HOH387 4.2 39.4 1.0
O B:ASP16 4.2 34.1 1.0
OD1 B:ASP16 4.3 32.8 1.0
C B:ASP16 4.7 29.3 1.0
N B:PRO15 4.9 20.7 1.0
O B:VAL14 5.0 19.9 1.0

Chlorine binding site 7 out of 12 in 4gru

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Chlorine binding site 7 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:39.3
occ:1.00
 NE2 B:GLN71 3.4 28.8 1.0
N B:GLN71 3.4 26.3 1.0
N B:ALA70 3.5 28.1 1.0
CG B:GLN71 3.5 26.2 1.0
CA B:GLY68 3.5 26.7 1.0
C B:GLY68 3.6 27.3 1.0
CB B:ALA70 3.7 29.2 1.0
N B:GLY69 3.8 26.9 1.0
CA B:ALA70 4.0 27.9 1.0
CD B:GLN71 4.0 28.6 1.0
CB B:GLN71 4.1 25.9 1.0
O B:GLY68 4.1 27.5 1.0
C B:ALA70 4.2 27.4 1.0
N B:GLY68 4.2 27.5 1.0
C B:GLY69 4.4 28.4 1.0
CA B:GLN71 4.4 24.6 1.0
CA B:GLY69 4.6 27.6 1.0
C B:ILE67 4.8 28.3 1.0
O B:ILE67 4.9 30.3 1.0

Chlorine binding site 8 out of 12 in 4gru

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Chlorine binding site 8 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:25.6
occ:1.00
 O A:HOH308 3.0 20.5 1.0
N B:ASN102 3.2 20.9 1.0
ND2 B:ASN105 3.2 22.5 1.0
ND2 B:ASN102 3.6 20.1 0.5
CG B:ASN102 3.8 19.2 0.5
CA B:MET101 3.8 21.8 1.0
CB B:ASN102 3.9 18.7 0.5
CB B:ASN105 3.9 19.6 1.0
C B:MET101 4.0 22.3 1.0
CG B:ASN105 4.1 22.6 1.0
CE B:MET101 4.1 22.4 1.0
CA B:ASN102 4.1 20.4 1.0
O A:HOH349 4.1 27.4 1.0
SD B:MET101 4.2 24.5 1.0
O B:ASP100 4.3 21.3 1.0
CB B:MET101 4.4 20.0 1.0
OD1 B:ASN102 4.5 20.9 0.5
O B:HOH337 4.5 40.0 1.0
O B:ASN102 4.7 20.3 1.0
O A:HOH330 4.8 23.5 1.0
N B:MET101 4.9 21.3 1.0
O A:TYR98 4.9 20.9 1.0
C B:ASN102 5.0 21.1 1.0

Chlorine binding site 9 out of 12 in 4gru

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Chlorine binding site 9 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:54.4
occ:1.00
 O B:HOH406 2.9 31.0 1.0
O B:THR112 3.4 26.7 1.0
CE3 B:TRP108 3.8 23.9 1.0
CB B:SER111 4.0 25.3 1.0
O B:TRP108 4.0 22.9 1.0
CZ3 B:TRP108 4.1 24.8 1.0
C B:THR112 4.2 26.9 1.0
OG B:SER111 4.3 26.2 1.0
N B:THR112 4.5 23.9 1.0
C B:SER111 4.7 24.5 1.0
N B:PHE113 4.8 27.7 1.0
CA B:PHE113 4.8 28.9 1.0
O B:HOH405 4.8 38.3 1.0
CD1 B:PHE113 4.8 27.2 1.0
CA B:SER111 4.9 24.3 1.0
CA B:THR112 4.9 25.5 1.0
O B:ASN109 5.0 23.7 1.0

Chlorine binding site 10 out of 12 in 4gru

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Chlorine binding site 10 out of 12 in the Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:42.3
occ:1.00
 N B:ILE64 3.1 24.3 1.0
NZ B:LYS32 3.1 47.7 1.0
N B:PRO1 3.1 24.6 1.0
C1' A:DIO206 3.3 31.5 1.0
CD B:PRO1 3.3 24.9 1.0
O1' A:DIO206 3.4 33.0 1.0
CA B:PRO1 3.6 24.6 1.0
OG B:SER63 3.6 23.6 1.0
CA B:SER63 3.7 20.9 1.0
CG1 B:ILE64 3.8 25.7 1.0
C B:SER63 3.9 22.3 1.0
CB B:ILE64 3.9 26.0 1.0
CA B:ILE64 4.0 25.6 1.0
CB B:PRO1 4.2 25.7 1.0
CB B:SER63 4.2 22.7 1.0
CG B:PRO1 4.3 27.5 1.0
CD1 B:ILE64 4.3 28.3 1.0
CE B:LYS32 4.4 46.8 1.0
O B:ILE64 4.5 26.1 1.0
CD B:LYS32 4.6 45.8 1.0
C2' A:DIO206 4.6 30.0 1.0
C B:ILE64 4.7 26.5 1.0
C1 A:DIO206 4.8 32.5 1.0
C B:PRO1 4.9 23.6 1.0
O B:HIS62 4.9 20.1 1.0
N B:SER63 4.9 19.9 1.0

Reference:

C.Fan, E.Lolis. Crystallographic and Biological Characterization of N- and C- Terminus Mutants of Human Mif To Be Published.
Page generated: Sun Jul 21 15:02:19 2024

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