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Fluorine in PDB 7bis: Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063

Enzymatic activity of Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063

All present enzymatic activity of Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063:
4.2.1.59; 5.3.3.14;

Protein crystallography data

The structure of Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063, PDB code: 7bis was solved by L.Moynie, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.85 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.885, 144.299, 76.517, 90, 116.26, 90
R / Rfree (%) 21 / 23.1

Other elements in 7bis:

The structure of Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 (pdb code 7bis). 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 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063, PDB code: 7bis:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 7bis

Go back to Fluorine Binding Sites List in 7bis
Fluorine binding site 1 out of 5 in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063


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-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:57.5
occ:1.00
FAR A:TZQ201 0.0 57.5 1.0
CAN A:TZQ201 1.2 52.9 1.0
CAM A:TZQ201 2.2 49.5 1.0
CAO A:TZQ201 2.3 50.4 1.0
CLAQ A:TZQ201 3.0 79.6 1.0
CAL A:TZQ201 3.5 46.6 1.0
CAP A:TZQ201 3.5 43.0 1.0
CE2 A:PHE165 3.8 45.5 1.0
CAK A:TZQ201 3.9 41.3 1.0
CZ A:PHE165 4.3 47.4 1.0
CD2 A:PHE165 4.7 44.7 1.0

Fluorine binding site 2 out of 5 in 7bis

Go back to Fluorine Binding Sites List in 7bis
Fluorine binding site 2 out of 5 in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063


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-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:57.5
occ:1.00
FAR B:TZQ201 0.0 57.5 1.0
CAN B:TZQ201 1.3 60.4 1.0
CAO B:TZQ201 2.4 62.8 1.0
CAM B:TZQ201 2.4 57.1 1.0
CLAQ B:TZQ201 3.0 94.0 1.0
CAL B:TZQ201 3.6 52.3 1.0
CAP B:TZQ201 3.6 58.7 1.0
CE2 B:PHE165 4.0 62.5 1.0
CAK B:TZQ201 4.1 52.1 1.0
CZ B:PHE165 4.4 64.0 1.0
O C:PHE114 4.6 36.7 1.0
CD2 B:PHE165 4.7 63.3 1.0
C C:PHE114 4.9 33.4 1.0

Fluorine binding site 3 out of 5 in 7bis

Go back to Fluorine Binding Sites List in 7bis
Fluorine binding site 3 out of 5 in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063


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 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F201

b:56.2
occ:1.00
FAR C:TZQ201 0.0 56.2 1.0
CAN C:TZQ201 1.4 59.2 1.0
CAO C:TZQ201 2.4 58.9 1.0
CAM C:TZQ201 2.5 57.9 1.0
CLAQ C:TZQ201 3.0 86.3 1.0
CE2 C:PHE165 3.3 52.0 1.0
CAP C:TZQ201 3.7 52.7 1.0
CAL C:TZQ201 3.7 48.3 1.0
CZ C:PHE165 3.8 51.6 1.0
CAK C:TZQ201 4.2 45.4 1.0
CD2 C:PHE165 4.2 46.2 1.0

Fluorine binding site 4 out of 5 in 7bis

Go back to Fluorine Binding Sites List in 7bis
Fluorine binding site 4 out of 5 in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063


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 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F201

b:83.2
occ:1.00
FAR E:TZQ201 0.0 83.2 1.0
CAN E:TZQ201 1.4 76.0 1.0
CAM E:TZQ201 2.4 71.0 1.0
CAO E:TZQ201 2.5 70.3 1.0
CLAQ E:TZQ201 3.0 92.6 1.0
CAL E:TZQ201 3.6 60.3 1.0
O D:SER170 3.7 80.2 1.0
CAP E:TZQ201 3.7 60.2 1.0
C D:SER170 3.9 96.3 1.0
CE2 D:PHE165 4.0 64.2 1.0
CAK E:TZQ201 4.2 51.7 1.0
CD2 D:PHE165 4.6 65.0 1.0
CZ D:PHE165 4.6 59.6 1.0

Fluorine binding site 5 out of 5 in 7bis

Go back to Fluorine Binding Sites List in 7bis
Fluorine binding site 5 out of 5 in the Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063


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 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F202

b:61.7
occ:1.00
FAR E:TZQ202 0.0 61.7 1.0
CAN E:TZQ202 1.4 74.5 1.0
CAO E:TZQ202 2.4 70.8 1.0
CAM E:TZQ202 2.4 71.3 1.0
CLAQ E:TZQ202 2.8 83.9 1.0
CAP E:TZQ202 3.7 61.9 1.0
CAL E:TZQ202 3.7 64.2 1.0
CE2 E:PHE165 3.9 49.7 1.0
CAK E:TZQ202 4.2 60.5 1.0
CZ E:PHE165 4.3 49.0 1.0
O D:PHE114 4.7 48.2 1.0
CD2 E:PHE165 4.8 47.2 1.0
C D:PHE114 4.8 46.9 1.0

Reference:

J.H.Naismith, L.Moynie, D.A.Robinson. Crystal Structure of 3-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase (Faba)From Pseudomonas Aeruginosa in Complex with DDD00082063 To Be Published.
Page generated: Fri Aug 2 05:59:32 2024

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