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Chlorine in PDB 4gum: Cystal Structure of Locked-Trimer of Human Mif

Enzymatic activity of Cystal Structure of Locked-Trimer of Human Mif

All present enzymatic activity of Cystal Structure of Locked-Trimer of Human Mif:
5.3.2.1; 5.3.3.12;

Protein crystallography data

The structure of Cystal Structure of Locked-Trimer of Human Mif, PDB code: 4gum 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) 48.79 / 2.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.315, 100.381, 199.480, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 27.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cystal Structure of Locked-Trimer of Human Mif (pdb code 4gum). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Cystal Structure of Locked-Trimer of Human Mif, PDB code: 4gum:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4gum

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Chlorine binding site 1 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:66.5
occ:1.00
 NZ A:LYS77 3.5 60.9 1.0
CB A:SER74 3.9 48.3 1.0
CD A:LYS77 4.0 51.6 1.0
CE A:LYS77 4.1 58.7 1.0
CA A:SER74 4.2 42.7 1.0
NE A:ARG73 4.4 48.3 1.0
N A:SER74 4.5 36.9 1.0
CG A:ARG73 5.0 37.9 1.0
NH2 A:ARG73 5.0 53.7 1.0

Chlorine binding site 2 out of 8 in 4gum

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Chlorine binding site 2 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:85.3
occ:1.00
 N C:GLY17 3.2 50.1 1.0
CA C:GLY17 3.5 49.7 1.0
CB C:LEU19 3.8 42.9 1.0
N C:LEU19 3.9 48.4 1.0
C C:GLY17 3.9 49.4 1.0
OD1 C:ASP16 4.0 70.8 1.0
N C:PHE18 4.1 53.4 1.0
OG B:SER53 4.2 83.6 1.0
CG C:LEU19 4.2 47.0 1.0
OG C:SER20 4.3 68.0 1.0
CB H:ALA70 4.3 87.9 1.0
N C:SER20 4.4 39.9 1.0
CD1 C:LEU19 4.4 37.5 1.0
CA C:LEU19 4.4 41.0 1.0
C C:ASP16 4.5 57.5 1.0
O C:GLY17 4.7 48.5 1.0
CA C:ASP16 4.9 62.8 1.0
C C:LEU19 4.9 47.0 1.0
C C:PHE18 5.0 45.8 1.0

Chlorine binding site 3 out of 8 in 4gum

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Chlorine binding site 3 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:61.5
occ:1.00
 NH1 C:ARG73 3.4 86.7 1.0
CA F:GLY17 3.4 47.5 1.0
N F:GLY17 3.5 51.8 1.0
CB F:LEU19 3.6 35.1 1.0
CG F:LEU19 3.7 51.9 1.0
N F:LEU19 3.7 48.0 1.0
C F:GLY17 3.7 48.3 1.0
CD1 F:LEU19 3.8 56.0 1.0
N F:PHE18 3.9 46.2 1.0
OG E:SER53 4.1 78.6 1.0
N F:SER20 4.1 45.7 1.0
CA F:LEU19 4.2 41.9 1.0
OG F:SER20 4.2 49.4 1.0
O F:GLY17 4.4 53.3 1.0
CZ C:ARG73 4.4 78.2 1.0
NH2 C:ARG73 4.6 75.7 1.0
C F:LEU19 4.7 42.8 1.0
C F:PHE18 4.7 48.8 1.0
OD1 F:ASP16 4.8 90.9 1.0
C F:ASP16 4.8 52.9 1.0
CA F:PHE18 4.8 51.3 1.0
CB F:SER20 4.9 51.5 1.0

Chlorine binding site 4 out of 8 in 4gum

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Chlorine binding site 4 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:55.0
occ:1.00
 N D:GLY17 3.4 44.3 1.0
CA D:GLY17 3.5 30.9 1.0
CB D:LEU19 3.6 39.4 1.0
N D:LEU19 3.7 40.0 1.0
C D:GLY17 3.8 29.8 1.0
N D:SER20 4.0 36.1 1.0
N D:PHE18 4.0 34.4 1.0
OG D:SER20 4.0 45.0 1.0
CG D:LEU19 4.1 45.5 1.0
CA D:LEU19 4.1 38.0 1.0
OD1 D:ASP16 4.3 79.4 1.0
CD1 D:LEU19 4.3 47.5 1.0
O D:GLY17 4.5 36.6 1.0
C D:LEU19 4.6 30.4 1.0
C D:ASP16 4.6 51.3 1.0
OG F:SER53 4.7 77.3 1.0
C D:PHE18 4.7 38.3 1.0
CB D:SER20 4.7 35.2 1.0
CA D:PHE18 4.9 37.3 1.0
CA D:SER20 5.0 33.6 1.0

Chlorine binding site 5 out of 8 in 4gum

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Chlorine binding site 5 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:53.0
occ:1.00
 NH1 D:ARG73 3.1 66.8 1.0
CZ D:ARG73 4.3 56.9 1.0
NH2 D:ARG73 4.6 41.1 1.0

Chlorine binding site 6 out of 8 in 4gum

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Chlorine binding site 6 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl203

b:76.3
occ:1.00
 NZ D:LYS77 3.1 61.9 1.0
CE D:LYS77 3.7 59.6 1.0
CD D:LYS77 3.7 51.8 1.0
CB D:SER74 3.9 43.9 1.0
CA D:SER74 4.1 38.4 1.0
NE D:ARG73 4.1 50.7 1.0
O D:HOH301 4.2 83.9 1.0
N D:SER74 4.4 36.9 1.0
CG D:ARG73 4.7 40.1 1.0
CD D:ARG73 4.8 45.1 1.0
NH2 D:ARG73 4.8 41.1 1.0
CG D:LYS77 4.9 49.0 1.0
CZ D:ARG73 4.9 56.9 1.0
C D:ARG73 4.9 42.7 1.0
O D:ALA70 4.9 39.9 1.0

Chlorine binding site 7 out of 8 in 4gum

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Chlorine binding site 7 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:0.9
occ:1.00
 ND2 E:ASN102 3.3 67.3 1.0
ND2 E:ASN105 3.8 61.5 1.0
CB E:ASN102 4.1 50.4 1.0
CG E:ASN102 4.2 57.6 1.0
CB E:ASN105 4.5 58.9 1.0
CD1 D:TYR99 4.5 40.1 1.0
CG E:ASN105 4.6 63.0 1.0

Chlorine binding site 8 out of 8 in 4gum

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Chlorine binding site 8 out of 8 in the Cystal Structure of Locked-Trimer 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 Cystal Structure of Locked-Trimer of Human Mif within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl201

b:58.5
occ:1.00
 N I:GLY17 3.4 42.9 1.0
CA I:GLY17 3.4 40.6 1.0
CB I:LEU19 3.8 50.7 1.0
C I:GLY17 3.9 35.1 1.0
N I:LEU19 3.9 39.4 1.0
OG H:SER53 4.0 75.6 1.0
N I:PHE18 4.0 35.5 1.0
CG I:LEU19 4.1 56.9 1.0
OG I:SER20 4.2 41.8 1.0
N I:SER20 4.3 38.0 1.0
OD1 I:ASP16 4.3 80.3 1.0
CA I:LEU19 4.4 38.5 1.0
CD1 I:LEU19 4.5 61.6 1.0
C I:ASP16 4.7 49.6 1.0
O I:GLY17 4.7 41.7 1.0
C I:LEU19 4.8 36.9 1.0
C I:PHE18 4.9 39.0 1.0
CB I:SER20 4.9 35.1 1.0

Reference:

C.Fan, D.Rajasekaran, M.A.Syed, L.Leng, J.P.Loria, V.Bhandari, R.Bucala, E.J.Lolis. Mif Intersubunit Disulfide Mutant Antagonist Supports Activation of CD74 By Endogenous Mif Trimer at Physiologic Concentrations. Proc.Natl.Acad.Sci.Usa V. 110 10994 2013.
ISSN: ISSN 0027-8424
PubMed: 23776208
DOI: 10.1073/PNAS.1221817110
Page generated: Sat Dec 12 10:40:50 2020

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