Atomistry » Fluorine » PDB 4bkz-4c62 » 4bo8
Atomistry »
  Fluorine »
    PDB 4bkz-4c62 »
      4bo8 »

Fluorine in PDB 4bo8: Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution

Enzymatic activity of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution

All present enzymatic activity of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution, PDB code: 4bo8 was solved by C.D.Cukier, R.Schnell, Y.Lindqvist, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.11 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.060, 108.570, 147.780, 90.00, 90.00, 90.00
R / Rfree (%) 25.21 / 30.093

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution (pdb code 4bo8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution, PDB code: 4bo8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4bo8

Go back to Fluorine Binding Sites List in 4bo8
Fluorine binding site 1 out of 2 in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution


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 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1248

b:40.1
occ:1.00
 FAP B:34X1248 0.0 40.1 1.0
CAO B:34X1248 1.1 33.4 1.0
CAC B:34X1248 2.2 32.0 1.0
CAN B:34X1248 2.2 31.4 1.0
NAD B:34X1248 2.5 31.1 1.0
CZ3 B:TRP106 3.4 38.4 1.0
CAB B:34X1248 3.4 30.9 1.0
CAM B:34X1248 3.4 30.6 1.0
CE3 B:TRP106 3.6 37.8 1.0
CD1 B:PHE107 3.8 28.2 1.0
CAE B:34X1248 3.8 32.0 1.0
CAA B:34X1248 3.9 30.1 1.0
CB B:VAL110 4.0 24.8 1.0
CG1 B:VAL110 4.1 24.9 1.0
CA B:PHE107 4.2 30.0 1.0
CD2 A:PHE164 4.3 18.5 1.0
CE1 B:PHE107 4.3 28.0 1.0
O B:PHE107 4.4 29.5 1.0
CG2 B:VAL110 4.6 24.6 1.0
NAF B:34X1248 4.6 34.4 1.0
OAQ B:34X1248 4.6 29.9 1.0
CG B:PHE107 4.6 28.8 1.0
CH2 B:TRP106 4.6 37.8 1.0
CB B:PHE107 4.7 29.9 1.0
O B:TRP106 4.8 32.7 1.0
CA A:PHE164 4.8 18.7 1.0
C B:PHE107 4.8 29.5 1.0
CB A:PHE164 4.9 18.4 1.0
CD2 B:TRP106 5.0 38.3 1.0
N B:PHE107 5.0 31.6 1.0

Fluorine binding site 2 out of 2 in 4bo8

Go back to Fluorine Binding Sites List in 4bo8
Fluorine binding site 2 out of 2 in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution


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 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(2-Amino-4-Phenylimidazol-1-Yl)-3-(2-Fluorophenyl) Urea at 2.7A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1248

b:26.2
occ:1.00
 FAP C:34X1248 0.0 26.2 1.0
CAO C:34X1248 1.4 25.2 1.0
CAN C:34X1248 2.4 25.0 1.0
CAC C:34X1248 2.5 24.7 1.0
NAD C:34X1248 2.7 24.2 1.0
CAM C:34X1248 3.7 25.3 1.0
CAB C:34X1248 3.7 24.3 1.0
CG1 C:VAL110 3.9 21.6 1.0
CB C:VAL110 4.0 22.0 1.0
CAE C:34X1248 4.0 23.9 1.0
CZ3 C:TRP106 4.1 36.0 1.0
CAA C:34X1248 4.2 23.9 1.0
CD1 C:PHE107 4.2 28.3 1.0
CD2 D:PHE164 4.3 16.8 1.0
OAQ C:34X1248 4.3 25.5 1.0
CE3 C:TRP106 4.4 36.0 1.0
CG2 C:VAL110 4.4 21.8 1.0
CA D:PHE164 4.5 16.9 1.0
CA C:PHE107 4.6 34.1 1.0
CB D:PHE164 4.7 16.8 1.0
O C:PHE107 4.7 30.5 1.0
CB C:ALA156 4.8 46.9 1.0
CE1 C:PHE107 4.8 28.5 1.0
O C:TRP106 4.8 37.6 1.0
N D:PHE164 4.9 17.0 1.0
CG D:PHE164 5.0 16.7 1.0

Reference:

C.D.Cukier, A.Hope, A.Elamin, L.Moynie, R.Schnell, S.Schach, H.Kneuper, M.Singh, J.Naismith, Y.Lindqvist, D.Gray, G.Schneider. Discovery of An Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase From Pseudomonas Aeruginosa Acs Chem.Biol. V. 8 2518 2013.
ISSN: ISSN 1554-8929
PubMed: 24015914
DOI: 10.1021/CB4005063
Page generated: Thu Aug 1 00:17:55 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy