Chlorine in PDB 7umo: Structure of UNC119-Inhibitor Complex.

Protein crystallography data

The structure of Structure of UNC119-Inhibitor Complex., PDB code: 7umo was solved by D.Srivastava, J.A.Sebag, N.O.Artemyev, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.16 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 75.82, 78.13, 187.07, 90, 90, 90
R / Rfree (%) 19.7 / 24.2

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Structure of UNC119-Inhibitor Complex. (pdb code 7umo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of UNC119-Inhibitor Complex., PDB code: 7umo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 7umo

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Chlorine binding site 1 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:54.7
occ:0.81
 CL A:NT6301 0.0 54.7 0.8
C A:NT6301 1.7 39.7 0.8
C15 A:NT6301 2.7 39.5 0.8
C1 A:NT6301 2.7 35.8 0.8
CZ A:PHE91 3.1 38.5 1.0
CL1 A:NT6301 3.2 56.9 0.8
CD1 A:ILE93 3.3 46.9 1.0
CE2 A:PHE91 3.5 37.9 1.0
CG1 A:ILE93 3.7 46.0 1.0
CZ A:TYR194 3.9 39.4 1.0
CE1 A:TYR194 3.9 37.5 1.0
OH A:TYR194 4.0 44.3 1.0
N1 A:NT6301 4.0 39.1 0.8
C2 A:NT6301 4.0 35.1 0.8
O2 A:GOL303 4.3 51.3 1.0
CE1 A:PHE91 4.3 41.6 1.0
CB A:ALA145 4.3 37.1 1.0
C3 A:NT6301 4.4 33.1 0.8
CE2 A:TYR194 4.5 33.7 1.0
CD1 A:TYR194 4.6 36.7 1.0
CG2 A:ILE93 4.6 32.7 1.0
CB A:ILE93 4.8 36.9 1.0
CD2 A:PHE91 4.8 40.4 1.0

Chlorine binding site 2 out of 12 in 7umo

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Chlorine binding site 2 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:56.9
occ:0.81
 CL1 A:NT6301 0.0 56.9 0.8
C1 A:NT6301 1.7 35.8 0.8
C2 A:NT6301 2.7 35.1 0.8
C A:NT6301 2.7 39.7 0.8
CL A:NT6301 3.2 54.7 0.8
CD1 A:ILE93 3.4 46.9 1.0
CE2 A:TYR234 3.6 27.6 1.0
CZ A:PHE133 3.6 33.2 1.0
CE2 A:PHE133 3.8 30.7 1.0
O2 A:GOL303 3.9 51.3 1.0
C3 A:NT6301 4.0 33.1 0.8
C15 A:NT6301 4.0 39.5 0.8
CE2 A:TYR131 4.0 35.8 1.0
CZ A:TYR131 4.0 34.5 1.0
CD2 A:TYR131 4.1 34.7 1.0
CE1 A:TYR131 4.2 37.6 1.0
CG A:TYR131 4.3 33.2 1.0
CD1 A:TYR131 4.3 32.8 1.0
OH A:TYR234 4.4 27.2 1.0
CD2 A:TYR234 4.4 27.3 1.0
CZ A:TYR234 4.5 30.1 1.0
CE2 A:PHE91 4.5 37.9 1.0
N1 A:NT6301 4.5 39.1 0.8
OH A:TYR131 4.6 39.2 1.0
CG1 A:ILE93 4.8 46.0 1.0
CE1 A:PHE133 4.9 35.7 1.0
CZ A:PHE137 5.0 30.9 1.0

Chlorine binding site 3 out of 12 in 7umo

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Chlorine binding site 3 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:56.2
occ:0.74
 CL B:NT6301 0.0 56.2 0.7
C B:NT6301 1.7 37.0 0.7
C15 B:NT6301 2.7 46.4 0.7
C1 B:NT6301 2.7 41.2 0.7
CL1 B:NT6301 3.2 52.4 0.7
CZ B:PHE91 3.2 48.8 1.0
CD1 B:ILE93 3.4 50.4 1.0
CE2 B:PHE91 3.6 50.9 1.0
CZ B:TYR194 3.8 38.2 1.0
CG1 B:ILE93 3.8 45.5 1.0
OH B:TYR194 3.9 45.4 1.0
CE1 B:TYR194 3.9 40.2 1.0
N1 B:NT6301 4.0 39.8 0.7
C2 B:NT6301 4.0 35.0 0.7
CB B:ALA145 4.3 40.3 1.0
CG2 B:ILE93 4.4 40.3 1.0
CE1 B:PHE91 4.4 48.1 1.0
C3 B:NT6301 4.4 39.0 0.7
CE2 B:TYR194 4.5 35.8 1.0
CD1 B:TYR194 4.5 36.0 1.0
OE2 B:GLU163 4.7 44.1 1.0
CB B:ILE93 4.8 36.5 1.0
OE1 B:GLU163 5.0 47.7 1.0

Chlorine binding site 4 out of 12 in 7umo

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Chlorine binding site 4 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:52.4
occ:0.74
 CL1 B:NT6301 0.0 52.4 0.7
C1 B:NT6301 1.7 41.2 0.7
C2 B:NT6301 2.7 35.0 0.7
C B:NT6301 2.7 37.0 0.7
CL B:NT6301 3.2 56.2 0.7
CE2 B:TYR234 3.5 30.1 1.0
CD1 B:ILE93 3.7 50.4 1.0
CE2 B:TYR131 3.9 45.8 1.0
CZ B:TYR131 3.9 47.7 1.0
CZ B:PHE133 3.9 32.5 1.0
C3 B:NT6301 4.0 39.0 0.7
C15 B:NT6301 4.0 46.4 0.7
CD2 B:TYR131 4.1 37.3 1.0
OH B:TYR234 4.1 31.2 1.0
CE1 B:TYR131 4.1 44.0 1.0
CE2 B:PHE133 4.2 34.0 1.0
CD1 B:TYR131 4.3 44.4 1.0
CG B:TYR131 4.3 36.5 1.0
CZ B:TYR234 4.3 35.5 1.0
OH B:TYR131 4.4 53.1 1.0
CD2 B:TYR234 4.5 33.1 1.0
N1 B:NT6301 4.5 39.8 0.7
CE2 B:PHE91 4.7 50.9 1.0
CE1 B:HIS165 5.0 35.1 1.0
OE2 B:GLU163 5.0 44.1 1.0

Chlorine binding site 5 out of 12 in 7umo

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Chlorine binding site 5 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:61.8
occ:0.76
 CL C:NT6301 0.0 61.8 0.8
C C:NT6301 1.7 46.2 0.8
C15 C:NT6301 2.7 47.1 0.8
C1 C:NT6301 2.7 42.0 0.8
CL1 C:NT6301 3.2 55.5 0.8
CZ C:PHE91 3.2 41.8 1.0
CD1 C:ILE93 3.5 51.2 1.0
CG1 C:ILE93 3.6 45.2 1.0
CE2 C:PHE91 3.7 48.8 1.0
CE1 C:TYR194 3.9 48.4 1.0
CZ C:TYR194 3.9 51.6 1.0
OH C:TYR194 3.9 60.7 1.0
N1 C:NT6301 4.0 41.5 0.8
C2 C:NT6301 4.0 38.5 0.8
CB C:ALA145 4.0 47.3 1.0
CE1 C:PHE91 4.3 44.4 1.0
C3 C:NT6301 4.4 44.3 0.8
CG2 C:ILE93 4.4 41.8 1.0
CD1 C:TYR194 4.5 44.9 1.0
CE2 C:TYR194 4.6 42.1 1.0
CB C:ILE93 4.7 42.8 1.0
OE2 C:GLU163 4.7 43.9 1.0

Chlorine binding site 6 out of 12 in 7umo

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Chlorine binding site 6 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:55.5
occ:0.76
 CL1 C:NT6301 0.0 55.5 0.8
C1 C:NT6301 1.7 42.0 0.8
C2 C:NT6301 2.7 38.5 0.8
C C:NT6301 2.7 46.2 0.8
CL C:NT6301 3.2 61.8 0.8
CD1 C:ILE93 3.4 51.2 1.0
CE2 C:TYR234 3.4 39.1 1.0
OH C:TYR234 3.9 38.7 1.0
CE2 C:TYR131 4.0 40.2 1.0
C3 C:NT6301 4.0 44.3 0.8
CZ C:TYR131 4.0 39.6 1.0
C15 C:NT6301 4.0 47.1 0.8
CZ C:PHE133 4.2 30.1 1.0
CD2 C:TYR131 4.2 33.8 1.0
CZ C:TYR234 4.2 42.2 1.0
CE1 C:TYR131 4.2 39.9 1.0
CE2 C:PHE133 4.3 32.9 1.0
CG C:TYR131 4.4 37.2 1.0
CD1 C:TYR131 4.4 40.5 1.0
CD2 C:TYR234 4.4 32.4 1.0
OH C:TYR131 4.5 48.0 1.0
CE2 C:PHE91 4.5 48.8 1.0
N1 C:NT6301 4.5 41.5 0.8
CG1 C:ILE93 4.6 45.2 1.0
CZ C:PHE91 4.9 41.8 1.0

Chlorine binding site 7 out of 12 in 7umo

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Chlorine binding site 7 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:53.2
occ:0.79
 CL D:NT6301 0.0 53.2 0.8
C D:NT6301 1.7 40.6 0.8
C15 D:NT6301 2.7 42.0 0.8
C1 D:NT6301 2.7 33.7 0.8
CL1 D:NT6301 3.2 61.4 0.8
CZ D:PHE91 3.2 42.4 1.0
CD1 D:ILE93 3.4 47.0 1.0
CG1 D:ILE93 3.5 43.0 1.0
CE2 D:PHE91 3.7 44.3 1.0
CB D:ALA145 3.8 39.6 1.0
N1 D:NT6301 4.0 40.0 0.8
C2 D:NT6301 4.0 34.0 0.8
CE1 D:TYR194 4.1 42.4 1.0
CZ D:TYR194 4.1 41.5 1.0
OH D:TYR194 4.2 46.2 1.0
CE1 D:PHE91 4.2 46.9 1.0
C3 D:NT6301 4.4 37.9 0.8
CG2 D:ILE93 4.5 34.9 1.0
CB D:ILE93 4.6 34.8 1.0
O D:HOH431 4.6 47.9 1.0
CD1 D:TYR194 4.7 39.1 1.0
CE2 D:TYR194 4.7 39.9 1.0
CG1 D:VAL143 5.0 36.0 1.0
CA D:ALA145 5.0 40.3 1.0

Chlorine binding site 8 out of 12 in 7umo

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Chlorine binding site 8 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:61.4
occ:0.79
 CL1 D:NT6301 0.0 61.4 0.8
C1 D:NT6301 1.7 33.7 0.8
C2 D:NT6301 2.7 34.0 0.8
C D:NT6301 2.7 40.6 0.8
CL D:NT6301 3.2 53.2 0.8
CD1 D:ILE93 3.5 47.0 1.0
CE2 D:TYR234 3.5 37.4 1.0
CZ D:PHE133 3.8 34.2 1.0
CE2 D:PHE133 3.9 34.8 1.0
CZ D:TYR131 3.9 38.8 1.0
C3 D:NT6301 4.0 37.9 0.8
C15 D:NT6301 4.0 42.0 0.8
CE2 D:TYR131 4.0 32.8 1.0
CE1 D:TYR131 4.0 41.3 1.0
CD2 D:TYR131 4.1 33.3 1.0
CD1 D:TYR131 4.2 38.3 1.0
OH D:TYR234 4.2 34.3 1.0
CG D:TYR131 4.2 33.8 1.0
CZ D:TYR234 4.4 37.1 1.0
CD2 D:TYR234 4.4 33.6 1.0
CE2 D:PHE91 4.4 44.3 1.0
OH D:TYR131 4.5 48.4 1.0
N1 D:NT6301 4.5 40.0 0.8
CG1 D:ILE93 4.7 43.0 1.0
CZ D:PHE91 4.8 42.4 1.0

Chlorine binding site 9 out of 12 in 7umo

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Chlorine binding site 9 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:60.0
occ:0.65
 CL E:NT6301 0.0 60.0 0.7
C E:NT6301 1.7 48.4 0.7
C15 E:NT6301 2.7 47.8 0.7
C1 E:NT6301 2.7 47.5 0.7
CZ E:PHE91 3.1 61.6 1.0
CL1 E:NT6301 3.2 62.5 0.7
CG2 E:ILE93 3.4 58.4 1.0
CE2 E:PHE91 3.5 59.3 1.0
O3 E:GOL302 3.6 64.7 1.0
N1 E:NT6301 4.0 49.2 0.7
C2 E:NT6301 4.0 48.9 0.7
CE1 E:TYR194 4.1 42.5 1.0
CD1 E:ILE93 4.2 71.3 1.0
CB E:ALA145 4.3 43.5 1.0
CZ E:TYR194 4.3 45.4 1.0
CE1 E:PHE91 4.3 61.6 1.0
CB E:ILE93 4.3 56.3 1.0
OH E:TYR194 4.3 45.5 1.0
C3 E:GOL302 4.4 64.1 1.0
O2 E:GOL302 4.4 68.8 1.0
C3 E:NT6301 4.4 46.1 0.7
CD1 E:TYR194 4.7 38.7 1.0
CD2 E:PHE91 4.8 61.8 1.0
CG1 E:ILE93 4.9 63.8 1.0
CG1 E:VAL143 4.9 41.8 1.0
CE2 E:TYR194 5.0 39.0 1.0

Chlorine binding site 10 out of 12 in 7umo

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Chlorine binding site 10 out of 12 in the Structure of UNC119-Inhibitor Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of UNC119-Inhibitor Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:62.5
occ:0.65
 CL1 E:NT6301 0.0 62.5 0.7
C1 E:NT6301 1.7 47.5 0.7
C2 E:NT6301 2.7 48.9 0.7
C E:NT6301 2.7 48.4 0.7
CL E:NT6301 3.2 60.0 0.7
O3 E:GOL302 3.5 64.7 1.0
CE2 E:TYR234 3.7 43.0 1.0
CE2 E:PHE133 3.8 58.4 1.0
CZ E:PHE133 3.8 61.8 1.0
C3 E:GOL302 3.9 64.1 1.0
CZ E:TYR131 4.0 54.2 1.0
C3 E:NT6301 4.0 46.1 0.7
C15 E:NT6301 4.0 47.8 0.7
CE1 E:TYR131 4.0 57.5 1.0
CD1 E:ILE93 4.1 71.3 1.0
CE2 E:TYR131 4.1 48.5 1.0
CD1 E:TYR131 4.2 55.6 1.0
CD2 E:TYR131 4.3 49.4 1.0
OH E:TYR234 4.4 38.1 1.0
CG E:TYR131 4.4 52.3 1.0
OH E:TYR131 4.5 58.9 1.0
N1 E:NT6301 4.5 49.2 0.7
CZ E:TYR234 4.5 39.9 1.0
CD2 E:TYR234 4.5 42.8 1.0
CZ E:PHE137 4.7 61.2 1.0
CE2 E:PHE91 4.7 59.3 1.0

Reference:

T.C.Yin, J.G.Van Vranken, D.Srivastava, A.Mittal, P.Buscaglia, A.E.Moore, J.A.Verdinez, A.E.Graham, S.A.Walsh, M.A.Acevedo, R.J.Kerns, N.O.Artemyev, S.P.Gygi, J.A.Sebag. Insulin Sensitization By Small Molecules Enhancing GLUT4 Translocation. Cell Chem Biol 2023.
ISSN: ESSN 2451-9456
PubMed: 37453421
DOI: 10.1016/J.CHEMBIOL.2023.06.012
Page generated: Tue Jul 30 05:06:36 2024

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