Chlorine in PDB 8ur4: Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)

Protein crystallography data

The structure of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form), PDB code: 8ur4 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.78 / 2.55
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 109.871, 109.871, 125.883, 90, 90, 90
R / Rfree (%) 25.3 / 28

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) (pdb code 8ur4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form), PDB code: 8ur4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 8ur4

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Chlorine binding site 1 out of 5 in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:86.0
occ:1.00
CG A:GLU27 3.9 90.8 1.0
N A:GLU27 3.9 95.8 1.0
CB A:THR26 4.2 80.0 1.0
CA A:THR26 4.3 99.8 1.0
CB A:GLU27 4.4 94.7 1.0
C A:THR26 4.7 82.3 1.0
OE2 A:GLU27 4.8 112.9 1.0
CG2 A:THR26 4.8 85.5 1.0
CA A:GLU27 4.8 104.9 1.0
CD A:GLU27 4.9 113.7 1.0

Chlorine binding site 2 out of 5 in 8ur4

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Chlorine binding site 2 out of 5 in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:82.4
occ:1.00
NZ A:LYS20 2.8 97.1 1.0
NZ B:LYS20 2.9 89.7 1.0
NZ C:LYS20 2.9 98.9 1.0
CE A:LYS20 3.4 88.8 1.0
CE C:LYS20 3.5 93.9 1.0
CE B:LYS20 3.6 68.8 1.0
CG1 C:VAL18 4.5 90.0 1.0
CG1 A:VAL18 4.6 46.9 1.0
CG1 B:VAL18 4.7 65.3 1.0
OE2 A:GLU57 4.8 71.8 1.0
CD A:LYS20 4.8 65.4 1.0

Chlorine binding site 3 out of 5 in 8ur4

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Chlorine binding site 3 out of 5 in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:106.6
occ:1.00
NZ A:LYS43 3.2 102.2 1.0
NH1 A:ARG89 3.6 93.5 1.0
CE A:LYS43 3.8 117.6 1.0
NH2 A:ARG89 4.0 102.2 1.0
CZ A:ARG89 4.2 109.0 1.0
CG A:LYS43 4.4 90.2 1.0
CD A:LYS43 4.8 105.0 1.0

Chlorine binding site 4 out of 5 in 8ur4

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Chlorine binding site 4 out of 5 in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:79.8
occ:1.00
CG B:GLU27 3.9 92.7 1.0
N B:GLU27 4.0 94.0 1.0
CB B:THR26 4.4 87.0 1.0
CB B:GLU27 4.4 96.1 1.0
CA B:THR26 4.5 93.1 1.0
C B:THR26 4.8 91.2 1.0
CA B:GLU27 4.8 92.5 1.0
OE2 B:GLU27 4.9 99.7 1.0
CD B:GLU27 4.9 102.6 1.0

Chlorine binding site 5 out of 5 in 8ur4

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Chlorine binding site 5 out of 5 in the Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:87.8
occ:1.00
N C:GLU27 3.8 91.3 1.0
CG C:GLU27 4.0 106.2 1.0
CB C:THR26 4.0 117.7 1.0
CA C:THR26 4.2 93.5 1.0
CB C:GLU27 4.6 89.8 1.0
C C:THR26 4.6 82.6 1.0
CG2 C:THR26 4.6 92.6 1.0
CA C:GLU27 4.8 88.7 1.0
OE2 C:GLU27 4.9 115.2 1.0

Reference:

L.Liu, S.Lovell, K.P.Battaile. Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) From Trichomonas Vaginalis (I4122 Form) To Be Published.
Page generated: Tue Jul 30 13:20:45 2024

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