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Chlorine 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:

Fluorine (F) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 5 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7bis

Go back to Chlorine Binding Sites List in 7bis
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201

b:79.6
occ:1.00
 CLAQ A:TZQ201 0.0 79.6 1.0
CAO A:TZQ201 1.8 50.4 1.0
CAP A:TZQ201 2.7 43.0 1.0
CAN A:TZQ201 2.8 52.9 1.0
FAR A:TZQ201 3.0 57.5 1.0
CD2 A:LEU106 3.9 32.7 1.0
CAK A:TZQ201 4.0 41.3 1.0
CAM A:TZQ201 4.1 49.5 1.0
CZ A:PHE165 4.2 47.4 1.0
CE2 A:PHE165 4.5 45.5 1.0
CAL A:TZQ201 4.5 46.6 1.0

Chlorine binding site 2 out of 5 in 7bis

Go back to Chlorine Binding Sites List in 7bis
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201

b:94.0
occ:1.00
 CLAQ B:TZQ201 0.0 94.0 1.0
CAO B:TZQ201 1.7 62.8 1.0
CAP B:TZQ201 2.6 58.7 1.0
CAN B:TZQ201 2.7 60.4 1.0
FAR B:TZQ201 3.0 57.5 1.0
CA C:PHE114 3.6 32.1 1.0
CD2 B:LEU106 3.7 37.0 1.0
O C:PHE113 3.7 32.0 1.0
C C:PHE114 3.9 33.4 1.0
CAK B:TZQ201 3.9 52.1 1.0
CAM B:TZQ201 4.0 57.1 1.0
CZ B:PHE165 4.1 64.0 1.0
O C:PHE114 4.2 36.7 1.0
CB C:PHE114 4.4 32.2 1.0
N C:GLY115 4.4 32.0 1.0
N C:PHE114 4.5 32.8 1.0
CAL B:TZQ201 4.5 52.3 1.0
C C:PHE113 4.5 34.1 1.0
CE2 B:PHE165 4.6 62.5 1.0

Chlorine binding site 3 out of 5 in 7bis

Go back to Chlorine Binding Sites List in 7bis
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201

b:86.3
occ:1.00
 CLAQ C:TZQ201 0.0 86.3 1.0
CAO C:TZQ201 1.8 58.9 1.0
CAP C:TZQ201 2.8 52.7 1.0
CAN C:TZQ201 2.8 59.2 1.0
FAR C:TZQ201 3.0 56.2 1.0
CA B:PHE114 3.4 30.2 1.0
O B:PHE113 3.9 24.6 1.0
C B:PHE114 3.9 30.9 1.0
CAK C:TZQ201 4.1 45.4 1.0
CAM C:TZQ201 4.1 57.9 1.0
CB B:PHE114 4.1 31.4 1.0
O B:PHE114 4.1 32.2 1.0
CD2 C:LEU106 4.2 31.6 1.0
N B:PHE114 4.5 27.6 1.0
N B:GLY115 4.5 30.2 1.0
CZ C:PHE165 4.6 51.6 1.0
C B:PHE113 4.6 27.1 1.0
CAL C:TZQ201 4.6 48.3 1.0
CE2 C:PHE165 4.9 52.0 1.0
CA A:GLY46 4.9 41.7 1.0

Chlorine binding site 4 out of 5 in 7bis

Go back to Chlorine Binding Sites List in 7bis
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201

b:92.6
occ:1.00
 CLAQ E:TZQ201 0.0 92.6 1.0
CAO E:TZQ201 1.5 70.3 1.0
CAP E:TZQ201 2.4 60.2 1.0
CAN E:TZQ201 2.6 76.0 1.0
FAR E:TZQ201 3.0 83.2 1.0
CAK E:TZQ201 3.7 51.7 1.0
CZ D:PHE165 3.8 59.6 1.0
CAM E:TZQ201 3.8 71.0 1.0
CA E:PHE114 4.0 31.0 1.0
CE2 D:PHE165 4.0 64.2 1.0
C E:PHE114 4.1 32.9 1.0
CD2 D:LEU106 4.2 34.3 1.0
CAL E:TZQ201 4.3 60.3 1.0
O E:PHE114 4.3 33.5 1.0
O E:PHE113 4.4 32.5 1.0
N E:GLY115 4.6 31.7 1.0
OAJ E:TZQ201 4.8 42.5 1.0
CB E:PHE114 4.8 30.2 1.0
CE1 D:PHE165 5.0 51.2 1.0
N E:PHE114 5.0 28.9 1.0

Chlorine binding site 5 out of 5 in 7bis

Go back to Chlorine Binding Sites List in 7bis
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl202

b:83.9
occ:1.00
 CLAQ E:TZQ202 0.0 83.9 1.0
CAO E:TZQ202 1.7 70.8 1.0
CAN E:TZQ202 2.7 74.5 1.0
CAP E:TZQ202 2.7 61.9 1.0
FAR E:TZQ202 2.8 61.7 1.0
CA D:PHE114 3.5 44.9 1.0
O D:PHE113 3.9 40.6 1.0
C D:PHE114 3.9 46.9 1.0
CAM E:TZQ202 4.0 71.3 1.0
CAK E:TZQ202 4.0 60.5 1.0
CD2 E:LEU106 4.1 48.3 1.0
O D:PHE114 4.2 48.2 1.0
CB D:PHE114 4.3 41.5 1.0
CZ E:PHE165 4.4 49.0 1.0
N D:GLY115 4.5 46.6 1.0
CAL E:TZQ202 4.5 64.2 1.0
N D:PHE114 4.5 44.4 1.0
C D:PHE113 4.6 42.6 1.0
CE2 E:PHE165 4.7 49.7 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: Mon Jul 29 19:13:24 2024

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