Chlorine in PDB 8ihz: Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine

Enzymatic activity of Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine

All present enzymatic activity of Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine:
1.14.11.30;

Protein crystallography data

The structure of Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine, PDB code: 8ihz was solved by Y.Nakashima, T.Corner, X.Zhang, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.22 / 2.22
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 86.578, 86.578, 147.416, 90, 90, 90
R / Rfree (%) 22.7 / 26.1

Other elements in 8ihz:

The structure of Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine (pdb code 8ihz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine, PDB code: 8ihz:

Chlorine binding site 1 out of 1 in 8ihz

Go back to Chlorine Binding Sites List in 8ihz
Chlorine binding site 1 out of 1 in the Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Inhibiting Hif-1 Alpha in Complex with (5-(1-(3-(4- Chlorophenyl)Propyl)-1H-1,2,3-Triazol-4-Yl)-3-Hydroxypicolinoyl) Glycine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1516

b:125.0
occ:1.00
 CL22 A:P1X1516 0.0 125.0 1.0
C21 A:P1X1516 1.8 123.2 1.0
C20 A:P1X1516 2.7 133.2 1.0
C23 A:P1X1516 2.8 118.0 1.0
H201 A:P1X1516 2.9 160.4 1.0
H231 A:P1X1516 2.9 142.2 1.0
HE21 A:GLN203 3.0 138.6 1.0
NE2 A:GLN203 3.2 115.1 1.0
HB2 A:GLN203 3.2 100.3 1.0
O A:HOH1643 3.3 84.1 1.0
HB3 A:ASP201 3.3 78.6 1.0
HE22 A:GLN203 3.4 138.6 1.0
CD A:GLN203 3.7 110.3 1.0
CD1 A:TRP296 3.8 80.7 1.0
OE1 A:GLN203 3.9 114.8 1.0
NE1 A:TRP296 4.0 71.9 1.0
CG A:TRP296 4.0 90.4 1.0
HD1 A:TRP296 4.0 97.4 1.0
C19 A:P1X1516 4.0 139.9 1.0
C24 A:P1X1516 4.1 128.4 1.0
H A:GLN203 4.1 102.1 1.0
CB A:GLN203 4.1 83.2 1.0
HB3 A:TRP296 4.2 104.8 1.0
CB A:ASP201 4.2 65.0 1.0
CE2 A:TRP296 4.2 83.2 1.0
CD2 A:TRP296 4.2 92.3 1.0
HE1 A:TRP296 4.2 86.8 1.0
H A:GLU202 4.2 85.4 1.0
CG A:ASP201 4.4 64.0 1.0
HG1 A:THR183 4.5 125.8 0.5
OD1 A:ASP201 4.5 68.6 1.0
CG A:GLN203 4.5 90.8 1.0
C18 A:P1X1516 4.6 145.5 1.0
CB A:TRP296 4.6 86.9 1.0
HB3 A:GLN203 4.6 100.3 1.0
N A:GLN203 4.6 84.7 1.0
HB2 A:ASP201 4.8 78.6 1.0
H101 A:P1X1516 4.8 135.6 1.0
N A:GLU202 4.8 70.7 1.0
HB2 A:TRP296 4.9 104.8 1.0
HA A:ASP201 4.9 78.0 1.0
H191 A:P1X1516 4.9 168.4 1.0
H241 A:P1X1516 4.9 154.6 1.0
CZ2 A:TRP296 5.0 93.3 1.0

Reference:

Y.Nakashima, T.Corner, X.Zhang, C.J.Schofield. A Small-Molecule Fih Inhibitor Binding to A Tyrosine-Flip Pocket Ameliorates Obesity and Mafld To Be Published.
Page generated: Tue Jul 30 10:30:57 2024

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