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Chlorine in PDB 6lw2: The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase

Enzymatic activity of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase

All present enzymatic activity of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase:
3.1.3.11;

Protein crystallography data

The structure of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase, PDB code: 6lw2 was solved by X.Y.Wang, J.Zhou, B.L.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.315, 83.595, 280.338, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 29

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase (pdb code 6lw2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase, PDB code: 6lw2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6lw2

Go back to Chlorine Binding Sites List in 6lw2
Chlorine binding site 1 out of 4 in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:61.9
occ:1.00
 CL1 A:EW0401 0.0 61.9 1.0
C10 A:EW0401 1.8 63.1 1.0
C11 A:EW0401 2.7 66.0 1.0
C9 A:EW0401 2.8 64.6 1.0
C15 A:EW0401 3.2 55.9 1.0
N2 A:EW0401 3.4 59.9 1.0
CA D:GLY28 3.5 52.5 1.0
N2 D:EW0401 3.6 66.0 1.0
C15 D:EW0401 3.7 58.5 1.0
C13 D:EW0401 3.8 59.5 1.0
O D:THR27 3.9 53.1 1.0
C11 D:EW0401 3.9 72.5 1.0
CE A:MET18 4.0 58.6 1.0
C12 A:EW0401 4.1 61.8 1.0
C8 A:EW0401 4.1 68.0 1.0
CG A:ARG22 4.2 56.8 1.0
N D:GLY28 4.2 56.8 1.0
C14 D:EW0401 4.3 64.3 1.0
CD A:ARG22 4.3 50.7 1.0
C D:THR27 4.3 55.0 1.0
C12 D:EW0401 4.4 71.9 1.0
C D:GLY28 4.4 47.9 1.0
C16 D:EW0401 4.4 58.2 1.0
C10 D:EW0401 4.5 74.6 1.0
O D:GLY28 4.5 46.0 1.0
CB A:ARG22 4.5 52.0 1.0
C7 A:EW0401 4.6 64.4 1.0
C13 A:EW0401 4.7 52.3 1.0
O A:MET18 4.8 51.7 1.0
N3 D:EW0401 4.9 55.6 1.0
CL1 D:EW0401 4.9 74.8 1.0
CG A:MET18 5.0 54.1 1.0

Chlorine binding site 2 out of 4 in 6lw2

Go back to Chlorine Binding Sites List in 6lw2
Chlorine binding site 2 out of 4 in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:51.2
occ:1.00
 CL1 B:EW0401 0.0 51.2 1.0
C10 B:EW0401 1.8 58.3 1.0
C11 B:EW0401 2.8 53.3 1.0
C9 B:EW0401 2.8 56.6 1.0
CA C:GLY28 3.2 50.2 1.0
C15 B:EW0401 3.3 44.0 1.0
N2 B:EW0401 3.4 54.2 1.0
N2 C:EW0401 3.8 52.7 1.0
C15 C:EW0401 3.8 49.3 1.0
N C:GLY28 4.0 49.9 1.0
C13 C:EW0401 4.0 54.2 1.0
C12 B:EW0401 4.1 54.7 1.0
C8 B:EW0401 4.1 57.2 1.0
C11 C:EW0401 4.3 54.4 1.0
CG B:ARG22 4.3 60.4 1.0
C C:GLY28 4.4 41.4 1.0
SD B:MET18 4.4 76.2 1.0
C16 C:EW0401 4.4 46.7 1.0
O C:THR27 4.5 44.4 1.0
CB B:ARG22 4.5 57.1 1.0
O C:GLY28 4.5 46.3 1.0
C C:THR27 4.6 46.4 1.0
C14 C:EW0401 4.6 54.9 1.0
C7 B:EW0401 4.6 56.9 1.0
O1 C:EW0401 4.7 42.3 1.0
O B:MET18 4.7 53.0 1.0
C13 B:EW0401 4.7 55.6 1.0
C12 C:EW0401 4.8 56.7 1.0
C10 C:EW0401 4.9 56.5 1.0

Chlorine binding site 3 out of 4 in 6lw2

Go back to Chlorine Binding Sites List in 6lw2
Chlorine binding site 3 out of 4 in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:58.8
occ:1.00
 CL1 C:EW0401 0.0 58.8 1.0
C10 C:EW0401 1.8 56.5 1.0
C11 C:EW0401 2.7 54.4 1.0
C9 C:EW0401 2.8 57.6 1.0
C15 C:EW0401 3.2 49.3 1.0
NH1 C:ARG22 3.3 69.8 1.0
N2 C:EW0401 3.4 52.7 1.0
CA B:GLY28 3.4 43.8 1.0
N2 B:EW0401 3.8 54.2 1.0
C15 B:EW0401 4.0 44.0 1.0
C12 C:EW0401 4.1 56.7 1.0
N B:GLY28 4.1 49.8 1.0
C8 C:EW0401 4.1 61.1 1.0
C13 B:EW0401 4.1 55.6 1.0
C11 B:EW0401 4.2 53.3 1.0
CG C:MET18 4.2 63.9 1.0
O B:THR27 4.3 53.1 1.0
CG C:ARG22 4.4 57.2 1.0
CZ C:ARG22 4.4 66.7 1.0
C B:THR27 4.4 46.1 1.0
C14 B:EW0401 4.5 53.7 1.0
C12 B:EW0401 4.6 54.7 1.0
C7 C:EW0401 4.6 56.8 1.0
C16 B:EW0401 4.6 43.2 1.0
CB C:ARG22 4.6 54.5 1.0
C B:GLY28 4.6 41.7 1.0
SD C:MET18 4.7 66.5 1.0
C13 C:EW0401 4.7 54.2 1.0
C10 B:EW0401 4.7 58.3 1.0
O C:MET18 4.8 51.8 1.0
O B:GLY28 4.9 45.6 1.0
O1 B:EW0401 4.9 41.3 1.0
CD C:ARG22 4.9 59.5 1.0
C14 C:EW0401 5.0 54.9 1.0

Chlorine binding site 4 out of 4 in 6lw2

Go back to Chlorine Binding Sites List in 6lw2
Chlorine binding site 4 out of 4 in the The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:74.8
occ:1.00
 CL1 D:EW0401 0.0 74.8 1.0
C10 D:EW0401 1.8 74.6 1.0
C11 D:EW0401 2.7 72.5 1.0
C9 D:EW0401 2.8 71.7 1.0
CE D:MET18 3.2 67.4 1.0
C15 D:EW0401 3.3 58.5 1.0
CA A:GLY28 3.3 33.9 1.0
N2 D:EW0401 3.4 66.0 1.0
N2 A:EW0401 3.7 59.9 1.0
C15 A:EW0401 3.7 55.9 1.0
CG D:ARG22 3.9 72.0 1.0
C13 A:EW0401 4.0 52.3 1.0
C12 D:EW0401 4.1 71.9 1.0
C11 A:EW0401 4.1 66.0 1.0
C8 D:EW0401 4.1 72.2 1.0
N A:GLY28 4.1 38.3 1.0
CB D:ARG22 4.2 68.4 1.0
O A:THR27 4.3 49.0 1.0
O D:MET18 4.4 53.7 1.0
C A:GLY28 4.5 38.4 1.0
C16 A:EW0401 4.5 47.8 1.0
C A:THR27 4.5 44.6 1.0
C14 A:EW0401 4.5 51.9 1.0
O A:GLY28 4.6 36.3 1.0
C7 D:EW0401 4.6 74.3 1.0
C10 A:EW0401 4.6 63.1 1.0
C12 A:EW0401 4.6 61.8 1.0
C13 D:EW0401 4.7 59.5 1.0
O1 A:EW0401 4.7 40.2 1.0
CL1 A:EW0401 4.9 61.9 1.0
SD D:MET18 5.0 71.9 1.0
C14 D:EW0401 5.0 64.3 1.0

Reference:

X.Y.Wang, J.Zhou, B.L.Xu. The N-Arylsulfonyl-Indole-2-Carboxamide-Based Inhibitors Against Fructose-1,6-Bisphosphatase To Be Published.
Page generated: Sun Jul 28 02:57:56 2024

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