Atomistry » Bromine » PDB 2vot-2xo8 » 2wbb
Atomistry »
  Bromine »
    PDB 2vot-2xo8 »
      2wbb »

Bromine in PDB 2wbb: Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor

Enzymatic activity of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor

All present enzymatic activity of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor:
3.1.3.11;

Protein crystallography data

The structure of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor, PDB code: 2wbb was solved by A.Ruf, C.Joseph, J.Benz, B.Fol, T.Tetaz, E.Kitas, P.Mohr, B.Kuhn, H.P.Wessel, P.Hebeisen, W.Haap, W.Huber, R.Alvarez Sanchez, A.Paehler, A.Bernadeau, M.Gubler, B.Schott, E.Tozzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.70 / 2.22
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.730, 278.563, 82.702, 90.00, 97.87, 90.00
R / Rfree (%) 19.9 / 24.8

Bromine Binding Sites:

The binding sites of Bromine atom in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor (pdb code 2wbb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor, PDB code: 2wbb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 1 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1336

b:58.3
occ:1.00
BR2 A:RO31336 0.0 58.3 1.0
C14 A:RO31336 1.9 55.1 1.0
C15 A:RO31336 2.9 54.1 1.0
S16 A:RO31336 3.1 51.5 1.0
CA C:GLY28 3.5 32.3 1.0
S16 C:RO31336 3.5 51.3 1.0
CG A:MET18 3.5 36.8 1.0
O C:GLY28 3.5 31.2 1.0
C C:GLY28 3.9 31.7 1.0
CD A:ARG22 3.9 46.0 1.0
N17 A:RO31336 4.0 53.1 1.0
CB A:MET18 4.1 35.9 1.0
SD A:MET18 4.1 39.4 1.0
C4 A:RO31336 4.2 50.2 1.0
CG A:ARG22 4.3 43.3 1.0
C14 C:RO31336 4.3 54.5 1.0
CB C:THR31 4.4 29.1 1.0
CG2 C:THR31 4.4 28.2 1.0
BR2 C:RO31336 4.5 58.2 1.0
CA A:MET18 4.7 36.2 1.0
N C:GLY28 4.7 33.7 1.0
OE1 C:GLN32 4.7 38.2 1.0
CE A:MET18 4.8 38.2 1.0
O A:MET18 4.8 35.7 1.0
C4 C:RO31336 4.8 50.6 1.0
O C:THR27 4.9 33.9 1.0
O1 C:RO31336 4.9 40.6 1.0

Bromine binding site 2 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 2 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1336

b:53.8
occ:1.00
BR2 B:RO31336 0.0 53.8 1.0
C14 B:RO31336 1.9 50.4 1.0
C15 B:RO31336 2.9 50.2 1.0
S16 B:RO31336 3.1 48.0 1.0
CG B:MET18 3.6 36.5 1.0
O D:GLY28 3.7 29.1 1.0
SD B:MET18 3.7 37.6 1.0
CA D:GLY28 3.8 29.4 1.0
S16 D:RO31336 3.8 46.9 1.0
CB B:MET18 4.0 35.4 1.0
CD B:ARG22 4.1 35.9 0.5
N17 B:RO31336 4.1 49.5 1.0
C14 D:RO31336 4.1 52.2 1.0
CG2 D:THR31 4.1 26.8 1.0
CG D:GLN32 4.2 28.2 1.0
C D:GLY28 4.2 28.9 1.0
C4 B:RO31336 4.2 46.7 1.0
CB D:THR31 4.3 27.1 1.0
BR2 D:RO31336 4.3 56.0 1.0
CG B:ARG22 4.5 35.8 0.5
CE B:MET18 4.6 36.2 1.0
CA B:MET18 4.6 35.6 1.0
C4 D:RO31336 4.7 46.6 1.0
O1 D:RO31336 4.8 39.0 1.0
CD D:GLN32 4.8 29.2 1.0
N D:GLN32 4.9 26.1 1.0
C15 D:RO31336 4.9 51.1 1.0
O B:MET18 5.0 36.1 1.0

Bromine binding site 3 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 3 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br1336

b:58.2
occ:1.00
BR2 C:RO31336 0.0 58.2 1.0
C14 C:RO31336 1.9 54.5 1.0
C15 C:RO31336 2.9 54.4 1.0
S16 C:RO31336 3.1 51.3 1.0
CG C:MET18 3.7 36.3 1.0
O A:GLY28 3.7 30.2 1.0
CA A:GLY28 3.8 31.2 1.0
SD C:MET18 3.9 37.8 1.0
N17 C:RO31336 4.0 54.2 1.0
CB C:MET18 4.1 35.9 1.0
C14 A:RO31336 4.1 55.1 1.0
S16 A:RO31336 4.1 51.5 1.0
CB A:THR31 4.2 27.5 1.0
C A:GLY28 4.2 30.7 1.0
C4 C:RO31336 4.2 50.6 1.0
CG2 A:THR31 4.3 27.8 1.0
BR2 A:RO31336 4.5 58.3 1.0
CE C:MET18 4.5 35.8 1.0
OE1 A:GLN32 4.6 32.9 1.0
O1 A:RO31336 4.6 40.8 1.0
C15 A:RO31336 4.6 54.1 1.0
CA C:MET18 4.7 36.0 1.0
C4 A:RO31336 4.7 50.2 1.0
O C:MET18 4.8 35.5 1.0
N A:GLN32 4.9 27.8 1.0
N17 A:RO31336 4.9 53.1 1.0
OG1 A:THR31 4.9 26.5 1.0

Bromine binding site 4 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 4 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br1336

b:56.0
occ:1.00
BR2 D:RO31336 0.0 56.0 1.0
C14 D:RO31336 1.9 52.2 1.0
C15 D:RO31336 2.9 51.1 1.0
S16 D:RO31336 3.1 46.9 1.0
CA B:GLY28 3.6 28.9 1.0
CG D:MET18 3.6 35.9 1.0
O B:GLY28 3.7 28.4 1.0
S16 B:RO31336 3.7 48.0 1.0
C14 B:RO31336 3.9 50.4 1.0
SD D:MET18 3.9 37.4 1.0
CB D:MET18 4.0 34.5 1.0
N17 D:RO31336 4.1 50.5 1.0
CG2 B:THR31 4.1 24.1 1.0
C B:GLY28 4.1 28.7 1.0
CD D:ARG22 4.1 39.9 1.0
CB B:THR31 4.2 24.4 1.0
C4 D:RO31336 4.2 46.6 1.0
BR2 B:RO31336 4.3 53.8 1.0
CG B:GLN32 4.4 28.7 1.0
C4 B:RO31336 4.4 46.7 1.0
CE D:MET18 4.5 36.5 1.0
C15 B:RO31336 4.5 50.2 1.0
O1 B:RO31336 4.7 41.7 1.0
CG D:ARG22 4.7 38.7 1.0
CA D:MET18 4.7 34.5 1.0
N17 B:RO31336 4.8 49.5 1.0
N B:GLN32 4.9 25.0 1.0
N B:GLY28 4.9 30.4 1.0
O D:MET18 4.9 34.9 1.0

Bromine binding site 5 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 5 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br1336

b:57.9
occ:1.00
BR2 E:RO31336 0.0 57.9 1.0
C14 E:RO31336 1.9 52.6 1.0
C15 E:RO31336 2.9 52.3 1.0
S16 E:RO31336 3.1 49.2 1.0
CA G:GLY28 3.5 31.8 1.0
O G:GLY28 3.5 31.2 1.0
S16 G:RO31336 3.7 46.5 1.0
C G:GLY28 3.9 31.8 1.0
CB E:MET18 4.0 32.9 1.0
CG E:MET18 4.0 33.0 1.0
O G:HOH2006 4.0 48.5 1.0
SD E:MET18 4.0 34.9 1.0
C14 G:RO31336 4.0 51.4 1.0
N17 E:RO31336 4.1 51.8 1.0
BR2 G:RO31336 4.2 55.7 1.0
C4 E:RO31336 4.2 47.3 1.0
CB G:THR31 4.4 27.6 1.0
CG2 G:THR31 4.5 27.3 1.0
CA E:MET18 4.6 32.7 1.0
C4 G:RO31336 4.7 47.5 1.0
OE1 G:GLN32 4.7 36.2 1.0
O E:MET18 4.7 32.7 1.0
O1 G:RO31336 4.8 43.2 1.0
CE E:MET18 4.8 34.4 1.0
CG G:GLN32 4.8 31.1 1.0
N G:GLY28 4.8 32.4 1.0
O G:THR27 4.8 32.8 1.0
C15 G:RO31336 4.9 50.9 1.0
N G:GLN32 5.0 27.8 1.0

Bromine binding site 6 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 6 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br1336

b:55.4
occ:1.00
BR2 F:RO31336 0.0 55.4 1.0
C14 F:RO31336 1.9 52.9 1.0
C15 F:RO31336 2.9 52.4 1.0
S16 F:RO31336 3.1 50.2 1.0
CA H:GLY28 3.6 30.6 1.0
SD F:MET18 3.6 38.9 1.0
CG F:MET18 3.6 36.3 1.0
S16 H:RO31336 3.6 50.7 1.0
O H:GLY28 3.7 30.2 1.0
C14 H:RO31336 4.0 53.6 1.0
C H:GLY28 4.1 30.2 1.0
N17 F:RO31336 4.1 51.4 1.0
CB F:MET18 4.1 35.7 1.0
CG2 H:THR31 4.1 27.6 1.0
CB H:THR31 4.2 28.2 1.0
C4 F:RO31336 4.2 48.7 1.0
BR2 H:RO31336 4.3 56.8 1.0
CD F:ARG22 4.4 37.9 0.5
CG F:ARG22 4.5 37.8 0.5
C4 H:RO31336 4.6 49.3 1.0
O1 H:RO31336 4.6 41.9 1.0
CA F:MET18 4.7 35.8 1.0
O F:MET18 4.8 35.6 1.0
N H:GLY28 4.8 32.2 1.0
C15 H:RO31336 4.9 53.1 1.0
O H:THR27 4.9 33.3 1.0
OG1 H:THR31 4.9 28.8 1.0
N H:GLN32 5.0 27.7 1.0
CG H:GLN32 5.0 29.4 1.0

Bromine binding site 7 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 7 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br1336

b:55.7
occ:1.00
BR2 G:RO31336 0.0 55.7 1.0
C14 G:RO31336 1.9 51.4 1.0
C15 G:RO31336 2.9 50.9 1.0
S16 G:RO31336 3.1 46.5 1.0
S16 E:RO31336 3.5 49.2 1.0
CA E:GLY28 3.5 29.4 1.0
O E:GLY28 3.6 28.3 1.0
CG G:MET18 3.8 32.8 1.0
C14 E:RO31336 4.0 52.6 1.0
C E:GLY28 4.0 28.7 1.0
N17 G:RO31336 4.0 51.0 1.0
SD G:MET18 4.0 34.2 1.0
CG2 E:THR31 4.1 24.4 1.0
CB E:THR31 4.1 25.0 1.0
BR2 E:RO31336 4.2 57.9 1.0
C4 G:RO31336 4.2 47.5 1.0
CB G:MET18 4.2 31.8 1.0
O1 E:RO31336 4.6 38.7 1.0
CG E:GLN32 4.6 28.2 1.0
C4 E:RO31336 4.6 47.3 1.0
CE G:MET18 4.6 33.2 1.0
OG1 E:THR31 4.8 24.4 1.0
CA G:MET18 4.8 32.2 1.0
N E:GLY28 4.8 30.5 1.0
C15 E:RO31336 4.9 52.3 1.0
NE2 E:GLN32 5.0 32.4 1.0
N E:GLN32 5.0 24.9 1.0

Bromine binding site 8 out of 8 in 2wbb

Go back to Bromine Binding Sites List in 2wbb
Bromine binding site 8 out of 8 in the Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Fructose-1,6-Bisphosphatase(D-Fructose-1,6-Bisphosphate-1- Phosphohydrolase) (E.C.3.1.3.11) Complexed with An Amp Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br1336

b:56.8
occ:1.00
BR2 H:RO31336 0.0 56.8 1.0
C14 H:RO31336 1.9 53.6 1.0
C15 H:RO31336 2.9 53.1 1.0
S16 H:RO31336 3.1 50.7 1.0
O F:GLY28 3.5 30.8 1.0
CA F:GLY28 3.5 31.0 1.0
CG H:MET18 3.6 36.6 1.0
S16 F:RO31336 3.7 50.2 1.0
SD H:MET18 3.8 37.9 1.0
C F:GLY28 3.9 30.6 1.0
CB H:MET18 3.9 35.9 1.0
C14 F:RO31336 4.0 52.9 1.0
N17 H:RO31336 4.0 52.7 1.0
CG2 F:THR31 4.2 25.3 1.0
C4 H:RO31336 4.2 49.3 1.0
BR2 F:RO31336 4.3 55.4 1.0
CB F:THR31 4.3 25.7 1.0
CG H:ARG22 4.4 39.8 1.0
CD H:ARG22 4.4 39.5 1.0
CG F:GLN32 4.5 27.7 1.0
CE H:MET18 4.5 36.6 1.0
C4 F:RO31336 4.6 48.7 1.0
CA H:MET18 4.7 35.9 1.0
O1 F:RO31336 4.7 39.8 1.0
O H:MET18 4.7 35.5 1.0
C15 F:RO31336 4.8 52.4 1.0
N F:GLY28 4.8 32.2 1.0
N F:GLN32 4.9 25.5 1.0
O F:THR27 5.0 32.7 1.0
CD F:GLN32 5.0 33.0 1.0

Reference:

E.Kitas, P.Mohr, B.Kuhn, H.P.Wessel, P.Hebeisen, W.Haap, A.Ruf, J.Benz, C.Joseph, W.Huber, R.Alvarez Sanchez, A.Paehler, A.Bernadeau, M.Gubler, B.Schott, E.Tozzo. Sulfonylureido Thiazoles As Fructose-1,6- Bisphosphatase Inhibitors For the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett. V. 20 594 2010.
ISSN: ISSN 0960-894X
PubMed: 19969452
DOI: 10.1016/J.BMCL.2009.11.093
Page generated: Wed Jul 10 18:48:37 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy