Atomistry » Chlorine » PDB 2y5f-2yc5 » 2y5l
Atomistry »
  Chlorine »
    PDB 2y5f-2yc5 »
      2y5l »

Chlorine in PDB 2y5l: Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase

Enzymatic activity of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase

All present enzymatic activity of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase:
3.1.3.11;

Protein crystallography data

The structure of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase, PDB code: 2y5l was solved by A.Ruf, P.Hebeisen, W.Haap, B.Kuhn, P.Mohr, H.P.Wessel, U.Zutter, S.Kirchner, J.Benz, C.Joseph, R.Alvarez-Sanchez, M.Gubler, B.Schott, A.Benardeau, E.Tozzo, E.Kitas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 142.86 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.791, 285.084, 83.687, 90.00, 97.30, 90.00
R / Rfree (%) 20.497 / 25.375

Other elements in 2y5l:

The structure of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase also contains other interesting chemical elements:

Bromine (Br) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase (pdb code 2y5l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase, PDB code: 2y5l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 1 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric 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 Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:44.5
occ:1.00
CL A:RO81000 0.0 44.5 1.0
C17 A:RO81000 1.8 40.3 1.0
C19 A:RO81000 2.7 34.7 1.0
C15 A:RO81000 2.8 37.0 1.0
CG1 A:VAL17 3.5 60.2 1.0
O A:VAL17 3.6 38.8 1.0
SD A:MET177 3.8 49.0 1.0
CG2 A:VAL17 4.0 46.3 1.0
CA A:VAL17 4.0 43.3 1.0
C18 A:RO81000 4.0 37.3 1.0
CB A:VAL17 4.0 40.6 1.0
C14 A:RO81000 4.0 34.6 1.0
CB A:GLU20 4.1 47.7 1.0
CD2 A:LEU30 4.1 34.9 1.0
C A:VAL17 4.2 42.7 1.0
OG1 A:THR31 4.2 45.5 1.0
CD1 A:LEU34 4.2 32.1 1.0
CE A:MET177 4.3 46.1 1.0
N A:GLY21 4.4 42.2 1.0
C16 A:RO81000 4.5 38.9 1.0
CG A:LEU30 4.6 35.2 1.0
C A:GLU20 4.8 45.1 1.0
CA A:GLY21 4.9 45.5 1.0
CG A:GLU20 5.0 54.4 1.0

Chlorine binding site 2 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 2 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric 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 Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1000

b:49.3
occ:1.00
CL B:RO81000 0.0 49.3 1.0
C17 B:RO81000 1.8 48.4 1.0
C15 B:RO81000 2.7 46.0 1.0
C19 B:RO81000 2.8 50.0 1.0
CG1 B:VAL17 3.4 42.8 1.0
O B:VAL17 3.6 46.8 1.0
SD B:MET177 3.8 47.7 1.0
CE B:MET177 3.9 41.0 1.0
C14 B:RO81000 4.0 43.1 1.0
C18 B:RO81000 4.0 43.8 1.0
CA B:VAL17 4.1 37.0 1.0
CB B:VAL17 4.1 34.7 1.0
CG2 B:VAL17 4.1 39.1 1.0
CB B:GLU20 4.1 44.7 1.0
CD1 B:LEU34 4.2 32.1 1.0
C B:VAL17 4.2 41.8 1.0
OG1 B:THR31 4.3 37.8 1.0
N B:GLY21 4.4 37.2 1.0
CD2 B:LEU30 4.5 38.4 1.0
C16 B:RO81000 4.5 44.0 1.0
CG B:LEU30 4.6 35.0 1.0
C B:GLU20 4.8 37.7 1.0
CA B:GLY21 4.8 38.7 1.0

Chlorine binding site 3 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 3 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric 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 Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1000

b:50.2
occ:1.00
CL C:RO81000 0.0 50.2 1.0
C17 C:RO81000 1.8 40.2 1.0
C15 C:RO81000 2.7 38.6 1.0
C19 C:RO81000 2.8 39.5 1.0
CG1 C:VAL17 3.7 48.0 1.0
O C:VAL17 3.7 39.3 1.0
CG2 C:VAL17 3.9 43.3 1.0
SD C:MET177 3.9 49.0 1.0
OG1 C:THR31 3.9 40.6 1.0
CD1 C:LEU34 4.0 31.3 1.0
C14 C:RO81000 4.0 39.4 1.0
CB C:VAL17 4.1 42.4 1.0
CE C:MET177 4.1 40.0 1.0
CD2 C:LEU30 4.1 36.0 1.0
C18 C:RO81000 4.1 33.4 1.0
CA C:VAL17 4.1 42.5 1.0
C C:VAL17 4.3 43.6 1.0
CB C:GLU20 4.3 50.5 1.0
CG C:LEU30 4.4 39.7 1.0
N C:GLY21 4.5 50.2 1.0
C16 C:RO81000 4.6 37.4 1.0
CA C:GLY21 4.8 48.4 1.0
C C:GLU20 5.0 45.9 1.0
N C:THR31 5.0 39.0 1.0
CA C:THR31 5.0 38.6 1.0

Chlorine binding site 4 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 4 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric 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 Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1000

b:47.4
occ:1.00
CL D:RO81000 0.0 47.4 1.0
C17 D:RO81000 1.8 45.8 1.0
C15 D:RO81000 2.7 40.8 1.0
C19 D:RO81000 2.8 40.8 1.0
CG2 D:VAL17 3.8 40.3 1.0
O D:VAL17 3.8 37.5 1.0
SD D:MET177 3.8 40.8 1.0
CD1 D:LEU34 3.9 25.5 1.0
C14 D:RO81000 4.0 38.7 1.0
OG1 D:THR31 4.0 29.1 1.0
CG1 D:VAL17 4.0 43.6 1.0
C18 D:RO81000 4.1 35.1 1.0
CE D:MET177 4.1 33.1 1.0
CA D:VAL17 4.1 35.2 1.0
CB D:VAL17 4.1 40.6 1.0
CD2 D:LEU30 4.3 35.2 1.0
C D:VAL17 4.3 40.4 1.0
CG D:LEU30 4.4 33.3 1.0
CB D:GLU20 4.4 49.4 1.0
C16 D:RO81000 4.6 38.0 1.0
N D:GLY21 4.6 38.1 1.0
CB D:LEU30 4.9 33.5 1.0
CA D:GLY21 4.9 37.2 1.0
C D:GLU20 5.0 41.4 1.0

Chlorine binding site 5 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 5 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1000

b:46.1
occ:1.00
CL E:RO81000 0.0 46.1 1.0
C17 E:RO81000 1.8 50.3 1.0
C15 E:RO81000 2.8 43.8 1.0
C19 E:RO81000 2.8 51.4 1.0
O E:VAL17 3.6 46.8 1.0
SD E:MET177 3.7 56.9 1.0
CG2 E:VAL17 3.8 44.8 1.0
CE E:MET177 3.9 62.1 1.0
CA E:VAL17 4.1 47.3 1.0
C14 E:RO81000 4.1 45.0 1.0
C18 E:RO81000 4.1 50.8 1.0
CG1 E:VAL17 4.1 48.5 1.0
CB E:GLU20 4.1 58.3 1.0
CD1 E:LEU34 4.2 40.4 1.0
CB E:VAL17 4.2 47.1 1.0
CD2 E:LEU30 4.2 38.7 1.0
C E:VAL17 4.3 48.9 1.0
OG1 E:THR31 4.3 48.3 1.0
CG E:LEU30 4.4 38.1 1.0
N E:GLY21 4.4 51.8 1.0
C16 E:RO81000 4.6 49.8 1.0
C E:GLU20 4.9 52.7 1.0
CA E:GLY21 4.9 54.6 1.0
N E:THR31 5.0 33.5 1.0

Chlorine binding site 6 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 6 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1000

b:58.3
occ:1.00
CL F:RO81000 0.0 58.3 1.0
C17 F:RO81000 1.8 58.4 1.0
C15 F:RO81000 2.7 53.0 1.0
C19 F:RO81000 2.8 57.1 1.0
O F:VAL17 3.7 49.4 1.0
CG2 F:VAL17 3.8 48.6 1.0
SD F:MET177 3.8 55.0 1.0
CG1 F:VAL17 3.9 51.9 1.0
CD1 F:LEU34 4.0 40.6 1.0
C14 F:RO81000 4.0 53.8 1.0
C18 F:RO81000 4.1 53.8 1.0
CB F:VAL17 4.1 46.1 1.0
OG1 F:THR31 4.1 44.7 1.0
CD2 F:LEU30 4.1 49.0 1.0
CE F:MET177 4.1 50.9 1.0
CA F:VAL17 4.2 48.6 1.0
C F:VAL17 4.3 52.9 1.0
CB F:GLU20 4.3 55.5 1.0
CG F:LEU30 4.4 52.6 1.0
C16 F:RO81000 4.6 57.1 1.0
N F:GLY21 4.7 55.5 1.0

Chlorine binding site 7 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 7 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1000

b:50.8
occ:1.00
CL G:RO81000 0.0 50.8 1.0
C17 G:RO81000 1.8 48.2 1.0
C15 G:RO81000 2.7 46.6 1.0
C19 G:RO81000 2.8 45.8 1.0
O G:VAL17 3.6 38.0 1.0
CG2 G:VAL17 3.6 52.6 1.0
SD G:MET177 3.9 47.9 1.0
OG1 G:THR31 3.9 42.9 1.0
CA G:VAL17 4.0 40.7 1.0
CE G:MET177 4.0 43.3 1.0
CD1 G:LEU34 4.0 32.5 1.0
C14 G:RO81000 4.0 40.5 1.0
C18 G:RO81000 4.1 45.1 1.0
CB G:GLU20 4.1 53.0 1.0
CB G:VAL17 4.1 42.7 1.0
CG1 G:VAL17 4.2 47.6 1.0
C G:VAL17 4.2 41.3 1.0
N G:GLY21 4.4 37.8 1.0
CD2 G:LEU30 4.5 40.8 1.0
C16 G:RO81000 4.5 42.5 1.0
CA G:GLY21 4.8 40.0 1.0
C G:GLU20 4.8 44.7 1.0
CG G:LEU30 4.8 41.6 1.0

Chlorine binding site 8 out of 8 in 2y5l

Go back to Chlorine Binding Sites List in 2y5l
Chlorine binding site 8 out of 8 in the Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose 1,6-Bisphosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1000

b:61.2
occ:1.00
CL H:RO81000 0.0 61.2 1.0
C17 H:RO81000 1.8 54.8 1.0
C15 H:RO81000 2.7 55.8 1.0
C19 H:RO81000 2.8 60.3 1.0
CG1 H:VAL17 3.4 48.1 1.0
O H:VAL17 3.6 45.1 1.0
SD H:MET177 3.8 48.8 1.0
CD2 H:LEU30 4.0 41.3 1.0
CA H:VAL17 4.0 47.3 1.0
C14 H:RO81000 4.0 56.3 1.0
CB H:VAL17 4.1 43.4 1.0
C18 H:RO81000 4.1 54.9 1.0
CD1 H:LEU34 4.1 43.4 1.0
OG1 H:THR31 4.1 51.7 1.0
CG2 H:VAL17 4.2 42.4 1.0
C H:VAL17 4.2 47.8 1.0
CE H:MET177 4.3 44.9 1.0
CB H:GLU20 4.3 55.5 1.0
CG H:LEU30 4.4 45.0 1.0
C16 H:RO81000 4.6 54.4 1.0
N H:GLY21 4.6 58.2 1.0
CB H:LEU30 4.9 43.7 1.0
CA H:GLY21 5.0 55.7 1.0

Reference:

P.Hebeisen, W.Haap, B.Kuhn, P.Mohr, H.P.Wessel, U.Zutter, S.Kirchner, A.Ruf, J.Benz, C.Joseph, R.Alvarez-Sanchez, M.Gubler, B.Schott, A.Benardeau, E.Tozzo, E.Kitas. Orally Active Aminopyridines As Inhibitors of Tetrameric Fructose-1,6-Bisphosphatase. Bioorg.Med.Chem.Lett. V. 21 3237 2011.
ISSN: ISSN 0960-894X
PubMed: 21550236
DOI: 10.1016/J.BMCL.2011.04.044
Page generated: Sat Jul 20 14:47:57 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy