Atomistry » Fluorine » PDB 5ug9-5uv2 » 5upg
Atomistry »
  Fluorine »
    PDB 5ug9-5uv2 »
      5upg »

Fluorine in PDB 5upg: Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090

Enzymatic activity of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090

All present enzymatic activity of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090:
3.5.1.108;

Protein crystallography data

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090, PDB code: 5upg was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.91 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 35.840, 47.400, 48.150, 111.27, 109.12, 98.12
R / Rfree (%) 14.7 / 18.6

Other elements in 5upg:

The structure of Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 (pdb code 5upg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090, PDB code: 5upg:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5upg

Go back to Fluorine Binding Sites List in 5upg
Fluorine binding site 1 out of 3 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090


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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:5.4
occ:0.20
F08 A:8GJ401 0.0 5.4 0.2
C05 A:8GJ401 1.3 6.2 0.8
C07 A:8GJ401 1.4 6.4 0.2
C04 A:8GJ401 2.2 5.8 0.8
C09 A:8GJ401 2.3 6.5 0.2
C06 A:8GJ401 2.4 6.8 0.2
O A:HOH672 2.4 10.7 1.0
C06 A:8GJ401 2.4 6.0 0.8
C28 A:8GJ401 2.9 6.3 0.8
C10 A:8GJ401 2.9 6.9 0.2
C10 A:8GJ401 2.9 7.9 0.8
C28 A:8GJ401 2.9 6.7 0.2
N A:PHE193 3.1 7.5 1.0
CD1 A:LEU200 3.2 9.9 1.0
CA A:GLY192 3.3 5.1 1.0
C A:GLY192 3.5 5.5 1.0
C03 A:8GJ401 3.5 8.6 0.8
C03 A:8GJ401 3.6 8.1 0.2
C07 A:8GJ401 3.6 8.0 0.8
O A:PHE193 3.6 8.6 1.0
C05 A:8GJ401 3.6 7.1 0.2
O A:HOH700 3.9 18.7 1.0
C09 A:8GJ401 4.0 6.4 0.8
C04 A:8GJ401 4.1 7.3 0.2
C26 A:8GJ401 4.1 6.2 0.8
C11 A:8GJ401 4.1 6.6 0.2
C A:PHE193 4.1 8.7 1.0
C26 A:8GJ401 4.2 6.7 0.2
C11 A:8GJ401 4.2 5.9 0.8
CA A:PHE193 4.2 8.1 1.0
N A:GLY192 4.5 4.9 1.0
O A:GLY192 4.6 7.0 1.0
O02 A:8GJ401 4.6 9.9 0.8
CB A:ASP196 4.7 10.5 1.0
CG A:LEU200 4.7 8.6 1.0
O27 A:8GJ401 4.7 8.7 0.8
O02 A:8GJ401 4.7 10.2 0.2
F08 A:8GJ401 4.8 4.9 0.8
O27 A:8GJ401 4.8 8.2 0.2
OD2 A:ASP196 4.9 17.1 1.0
O A:HOH675 4.9 12.8 1.0
CB A:PHE193 5.0 6.4 1.0

Fluorine binding site 2 out of 3 in 5upg

Go back to Fluorine Binding Sites List in 5upg
Fluorine binding site 2 out of 3 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090


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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:4.9
occ:0.80
F08 A:8GJ401 0.0 4.9 0.8
C05 A:8GJ401 1.4 7.1 0.2
C07 A:8GJ401 1.4 8.0 0.8
C04 A:8GJ401 2.3 7.3 0.2
C09 A:8GJ401 2.3 6.4 0.8
C06 A:8GJ401 2.4 6.0 0.8
C06 A:8GJ401 2.4 6.8 0.2
C11 A:8GJ401 2.8 6.6 0.2
C10 A:8GJ401 2.9 6.9 0.2
C11 A:8GJ401 2.9 5.9 0.8
C10 A:8GJ401 2.9 7.9 0.8
CA A:GLY209 3.3 9.2 1.0
CB A:ALA214 3.5 8.7 1.0
C03 A:8GJ401 3.6 8.1 0.2
C03 A:8GJ401 3.6 8.6 0.8
C05 A:8GJ401 3.6 6.2 0.8
C07 A:8GJ401 3.6 6.4 0.2
CD1 A:LEU18 3.7 6.6 1.0
C A:GLY209 3.7 7.5 1.0
N A:SER210 3.8 7.1 1.0
C12 A:8GJ401 4.0 7.5 0.2
C04 A:8GJ401 4.1 5.8 0.8
C09 A:8GJ401 4.1 6.5 0.2
C28 A:8GJ401 4.1 6.7 0.2
C12 A:8GJ401 4.1 7.4 0.8
C28 A:8GJ401 4.1 6.3 0.8
O A:GLY209 4.4 10.9 1.0
OD1 A:ASN213 4.5 10.6 1.0
N A:GLY209 4.5 9.1 1.0
CB A:ALA206 4.5 9.0 1.0
O A:SER210 4.6 9.2 1.0
O02 A:8GJ401 4.6 10.2 0.2
O02 A:8GJ401 4.7 9.9 0.8
F08 A:8GJ401 4.8 5.4 0.2
CG2 A:VAL216 4.8 6.1 1.0
C01 A:8GJ401 4.8 7.9 0.2
CA A:SER210 4.8 11.8 1.0
N13 A:8GJ401 5.0 6.1 0.2
CA A:ALA214 5.0 6.2 1.0

Fluorine binding site 3 out of 3 in 5upg

Go back to Fluorine Binding Sites List in 5upg
Fluorine binding site 3 out of 3 in the Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090


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 Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:32.8
occ:1.00
F08 A:8GJ402 0.0 32.8 1.0
C07 A:8GJ402 1.4 26.3 1.0
C09 A:8GJ402 2.3 25.2 1.0
C06 A:8GJ402 2.4 26.6 1.0
C28 A:8GJ402 2.8 17.9 1.0
C10 A:8GJ402 2.9 20.6 1.0
CA A:GLY85 3.3 6.8 1.0
O A:ALA84 3.4 6.9 1.0
C03 A:8GJ402 3.6 24.6 1.0
C05 A:8GJ402 3.6 28.6 1.0
C A:ALA84 3.7 7.4 1.0
N A:GLY85 3.7 6.0 1.0
CE2 A:PHE152 4.0 14.7 1.0
C04 A:8GJ402 4.1 21.6 1.0
C26 A:8GJ402 4.1 23.6 1.0
CG2 A:ILE243 4.1 4.7 1.0
C11 A:8GJ402 4.2 21.2 1.0
CD2 A:PHE152 4.2 10.2 1.0
O A:HOH512 4.2 29.6 1.0
C A:GLY85 4.3 8.1 1.0
O A:GLY85 4.4 8.7 1.0
CB A:ALA84 4.5 5.5 1.0
O02 A:8GJ402 4.7 22.1 1.0
CA A:ALA84 4.7 8.1 1.0
O27 A:8GJ402 4.7 23.4 1.0
CD2 A:PHE181 4.7 4.8 1.0
CD1 A:ILE243 4.9 9.2 1.0
C01 A:8GJ402 4.9 27.4 1.0
CG A:PHE181 5.0 7.1 1.0
CZ A:PHE152 5.0 13.6 1.0

Reference:

J.N.Phan, S.L.Delker, D.D.Lorimer, T.E.Edwards. Crystal Structure of Lpxc From Pseudomonas Aeruginosa in Complex with Pf-5081090 To Be Published.
Page generated: Tue Jul 15 08:16:53 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy