Atomistry » Fluorine » PDB 3ewh-3flq » 3faa
Atomistry »
  Fluorine »
    PDB 3ewh-3flq »
      3faa »

Fluorine in PDB 3faa: Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor

Enzymatic activity of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor

All present enzymatic activity of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor:
2.7.11.30;

Protein crystallography data

The structure of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor, PDB code: 3faa was solved by P.A.Boriack-Sjodin, C.Fitch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 3.35
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 174.861, 248.852, 138.628, 90.00, 90.00, 90.00
R / Rfree (%) 22.8 / 27.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor (pdb code 3faa). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor, PDB code: 3faa:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 3faa

Go back to Fluorine Binding Sites List in 3faa
Fluorine binding site 1 out of 5 in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:58.4
occ:1.00
 F24 A:55F601 0.0 58.4 1.0
C19 A:55F601 1.3 56.6 1.0
C18 A:55F601 2.3 54.8 1.0
C20 A:55F601 2.4 57.4 1.0
C23 A:55F601 2.9 58.6 1.0
N A:SER280 3.0 41.6 1.0
O A:LEU278 3.1 38.2 1.0
C A:LEU278 3.1 36.3 1.0
C A:VAL279 3.2 39.0 1.0
CB A:SER280 3.3 44.8 1.0
N A:VAL279 3.3 36.0 1.0
CB A:LEU278 3.5 32.2 1.0
CA A:VAL279 3.5 36.6 1.0
C17 A:55F601 3.6 54.8 1.0
CA A:SER280 3.6 45.4 1.0
N21 A:55F601 3.6 56.0 1.0
O A:VAL279 3.7 40.3 1.0
OG A:SER280 3.7 46.2 1.0
CA A:LEU278 3.9 35.8 1.0
C16 A:55F601 4.1 54.3 1.0
CG A:LEU278 4.3 29.8 1.0
O A:ALA230 4.3 43.1 1.0
CB A:LYS232 4.7 39.5 1.0
CD1 A:PHE262 4.7 50.1 1.0
N A:LYS232 4.8 39.0 1.0
O A:ALA264 5.0 45.7 1.0
CE1 A:PHE262 5.0 49.7 1.0

Fluorine binding site 2 out of 5 in 3faa

Go back to Fluorine Binding Sites List in 3faa
Fluorine binding site 2 out of 5 in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:44.0
occ:1.00
 F24 B:55F601 0.0 44.0 1.0
C19 B:55F601 1.3 42.3 1.0
C18 B:55F601 2.4 41.5 1.0
C20 B:55F601 2.4 43.0 1.0
C23 B:55F601 2.8 42.4 1.0
C B:LEU278 3.1 30.7 1.0
C B:VAL279 3.1 32.7 1.0
O B:LEU278 3.2 31.1 1.0
N B:VAL279 3.3 30.4 1.0
CB B:SER280 3.3 38.6 1.0
N B:SER280 3.3 35.4 1.0
O B:VAL279 3.4 32.8 1.0
CB B:LEU278 3.4 30.0 1.0
CA B:VAL279 3.5 31.4 1.0
C17 B:55F601 3.6 40.4 1.0
N21 B:55F601 3.6 43.3 1.0
OG B:SER280 3.7 38.3 1.0
CA B:LEU278 3.8 30.0 1.0
CA B:SER280 3.9 37.8 1.0
C16 B:55F601 4.1 40.2 1.0
CG B:LEU278 4.1 29.1 1.0
O B:ALA230 4.5 30.8 1.0
CD1 B:PHE262 4.6 40.3 1.0
CE1 B:PHE262 4.7 40.2 1.0
CB B:LYS232 4.7 35.1 1.0

Fluorine binding site 3 out of 5 in 3faa

Go back to Fluorine Binding Sites List in 3faa
Fluorine binding site 3 out of 5 in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:74.0
occ:1.00
 F24 C:55F601 0.0 74.0 1.0
C19 C:55F601 1.3 74.2 1.0
C18 C:55F601 2.4 74.4 1.0
C20 C:55F601 2.4 74.5 1.0
C23 C:55F601 2.9 73.9 1.0
N C:SER280 3.0 49.6 1.0
C C:VAL279 3.0 46.7 1.0
N C:VAL279 3.0 44.2 1.0
C C:LEU278 3.1 43.2 1.0
O C:LEU278 3.2 43.9 1.0
CA C:VAL279 3.2 45.4 1.0
CB C:SER280 3.3 54.5 1.0
OG C:SER280 3.5 54.6 1.0
CB C:LEU278 3.6 41.7 1.0
O C:VAL279 3.6 45.2 1.0
C17 C:55F601 3.6 75.7 1.0
N21 C:55F601 3.6 75.4 1.0
CA C:SER280 3.7 53.3 1.0
CA C:LEU278 3.9 42.4 1.0
CG C:LEU278 4.1 40.5 1.0
C16 C:55F601 4.1 76.7 1.0
O C:ALA230 4.1 46.9 1.0
N C:LYS232 4.5 44.5 1.0
CB C:LYS232 4.6 44.3 1.0
CD2 C:LEU278 4.7 40.4 1.0
CD1 C:PHE262 4.8 45.7 1.0
CB C:VAL279 4.8 44.4 1.0
C C:SER280 5.0 55.4 1.0

Fluorine binding site 4 out of 5 in 3faa

Go back to Fluorine Binding Sites List in 3faa
Fluorine binding site 4 out of 5 in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F601

b:51.4
occ:1.00
 F24 D:55F601 0.0 51.4 1.0
C19 D:55F601 1.3 51.6 1.0
C18 D:55F601 2.4 51.2 1.0
C20 D:55F601 2.4 52.0 1.0
C D:VAL279 2.9 37.1 1.0
C23 D:55F601 2.9 52.7 1.0
N D:VAL279 2.9 33.6 1.0
N D:SER280 2.9 38.5 1.0
C D:LEU278 3.0 32.3 1.0
CA D:VAL279 3.1 35.2 1.0
O D:LEU278 3.2 32.8 1.0
CB D:SER280 3.3 41.5 1.0
OG D:SER280 3.4 42.0 1.0
O D:VAL279 3.5 38.6 1.0
CB D:LEU278 3.6 31.4 1.0
C17 D:55F601 3.7 50.3 1.0
N21 D:55F601 3.7 51.5 1.0
CA D:SER280 3.7 41.4 1.0
CA D:LEU278 3.8 31.3 1.0
O D:ALA230 3.9 39.2 1.0
C16 D:55F601 4.1 49.7 1.0
CG D:LEU278 4.3 30.0 1.0
N D:LYS232 4.6 37.2 1.0
CB D:LYS232 4.6 36.7 1.0
CB D:VAL279 4.7 34.5 1.0
CD1 D:PHE262 4.8 30.9 1.0
O D:ALA264 4.9 35.4 1.0
C D:ALA230 5.0 37.9 1.0
N D:LEU278 5.0 31.8 1.0

Fluorine binding site 5 out of 5 in 3faa

Go back to Fluorine Binding Sites List in 3faa
Fluorine binding site 5 out of 5 in the Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Tgfbri Complexed with A 2-Aminoimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F601

b:46.9
occ:1.00
 F24 E:55F601 0.0 46.9 1.0
C19 E:55F601 1.3 40.9 1.0
C18 E:55F601 2.3 40.1 1.0
C20 E:55F601 2.4 41.0 1.0
C23 E:55F601 2.9 39.9 1.0
C E:VAL279 3.0 28.6 1.0
C E:LEU278 3.0 27.6 1.0
N E:VAL279 3.0 27.7 1.0
N E:SER280 3.1 31.1 1.0
O E:LEU278 3.2 28.3 1.0
CA E:VAL279 3.3 27.9 1.0
CB E:SER280 3.3 35.5 1.0
O E:VAL279 3.3 27.8 1.0
CB E:LEU278 3.4 25.8 1.0
C17 E:55F601 3.6 40.4 1.0
N21 E:55F601 3.6 41.6 1.0
OG E:SER280 3.7 35.4 1.0
CA E:SER280 3.8 34.7 1.0
CA E:LEU278 3.8 27.0 1.0
C16 E:55F601 4.1 41.6 1.0
O E:ALA230 4.2 31.9 1.0
CG E:LEU278 4.2 26.1 1.0
CB E:LYS232 4.4 28.6 1.0
CD2 E:LEU278 4.7 27.0 1.0
N E:LYS232 4.8 29.9 1.0
CB E:VAL279 4.8 28.6 1.0
CD2 E:LEU260 4.9 24.9 1.0
CD1 E:PHE262 4.9 41.3 1.0
N E:LEU278 4.9 28.4 1.0

Reference:

D.Bonafoux, C.Chuaqui, P.A.Boriack-Sjodin, C.Fitch, G.Hankins, S.Josiah, C.Black, G.Hetu, L.Ling, W.C.Lee. 2-Aminoimidazoles Inhibitors of Tgf-Beta Receptor 1. Bioorg.Med.Chem.Lett. V. 19 912 2009.
ISSN: ISSN 0960-894X
PubMed: 19135364
DOI: 10.1016/J.BMCL.2008.11.119
Page generated: Mon Jul 14 16:13:14 2025

Last articles

Mg in 4LCZ
Mg in 4LF2
Mg in 4LF1
Mg in 4LEM
Mg in 4LCK
Mg in 4LE0
Mg in 4LDZ
Mg in 4LDT
Mg in 4LA7
Mg in 4LDJ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy