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Chlorine in PDB 6ahl: Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions

Enzymatic activity of Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions

All present enzymatic activity of Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions:
3.2.1.17;

Protein crystallography data

The structure of Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions, PDB code: 6ahl was solved by Z.Seraj, A.Seyedarabi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.31 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.220, 78.220, 36.890, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 20.7

Other elements in 6ahl:

The structure of Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions (pdb code 6ahl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions, PDB code: 6ahl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6ahl

Go back to Chlorine Binding Sites List in 6ahl
Chlorine binding site 1 out of 3 in the Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions


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 Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:22.2
occ:1.00
OG A:SER24 2.9 17.0 1.0
O A:HOH415 3.0 36.0 1.0
N A:GLY26 3.1 12.4 1.0
CB A:SER24 3.4 15.7 1.0
CA A:GLY26 3.5 13.2 1.0
CA A:GLN121 3.6 20.1 1.0
CD1 A:ILE124 3.9 24.8 1.0
N A:GLN121 3.9 16.6 1.0
CB A:GLN121 4.0 24.7 1.0
N A:LEU25 4.1 14.3 1.0
CG2 A:VAL120 4.2 16.5 1.0
CG A:GLN121 4.2 27.8 1.0
C A:LEU25 4.2 15.1 1.0
C A:SER24 4.3 15.1 1.0
C A:VAL120 4.3 16.6 1.0
O A:VAL120 4.3 16.4 1.0
CG1 A:ILE124 4.4 22.2 1.0
CA A:SER24 4.5 14.2 1.0
C A:GLY26 4.6 11.6 1.0
CA A:LEU25 4.6 15.7 1.0
N A:ASN27 4.7 11.2 1.0
O A:SER24 4.7 14.4 1.0
C A:GLN121 4.8 16.5 1.0
CB A:LEU25 4.9 17.2 1.0
O A:GLN121 5.0 17.2 1.0

Chlorine binding site 2 out of 3 in 6ahl

Go back to Chlorine Binding Sites List in 6ahl
Chlorine binding site 2 out of 3 in the Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions


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 Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:17.6
occ:1.00
OH A:TYR23 3.0 12.3 1.0
O A:HOH435 3.0 38.1 1.0
O A:HOH353 3.3 16.6 1.0
CZ A:TYR23 3.7 12.1 1.0
CE2 A:TYR23 3.8 12.1 1.0
CA A:GLY104 4.1 13.1 1.0
O A:ARG21 4.5 15.5 1.0
N A:GLY104 4.7 13.5 1.0
CE1 A:TYR23 4.9 11.8 1.0
CD2 A:TYR23 5.0 12.5 1.0

Chlorine binding site 3 out of 3 in 6ahl

Go back to Chlorine Binding Sites List in 6ahl
Chlorine binding site 3 out of 3 in the Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions


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 Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:20.5
occ:1.00
O A:HOH470 3.0 21.4 1.0
O A:HOH373 3.1 12.1 1.0
O A:HOH413 3.2 24.7 1.0
O A:HOH327 3.2 29.4 1.0
N A:THR69 3.3 15.2 1.0
O A:THR69 3.3 13.3 1.0
N A:ARG68 3.6 15.1 1.0
CA A:GLY67 3.6 15.0 1.0
C A:GLY67 3.6 17.8 1.0
OD1 A:ASN65 3.7 16.7 1.0
OG A:SER72 3.7 18.5 1.0
C A:THR69 3.7 15.0 1.0
N A:GLY67 3.8 14.2 1.0
CA A:THR69 3.9 14.1 1.0
O A:HOH382 4.0 14.3 1.0
C A:ARG68 4.2 15.1 1.0
CB A:THR69 4.3 14.8 1.0
OD1 A:ASP66 4.3 10.6 1.0
O A:GLY67 4.3 18.2 1.0
CA A:ARG68 4.3 15.8 1.0
N A:PRO70 4.6 16.8 1.0
O A:HOH494 4.6 38.8 1.0
NA A:NA205 4.7 13.6 1.0
O A:HOH338 4.8 15.2 0.5
O A:HOH457 4.9 44.4 1.0
CG A:ASN65 4.9 14.4 1.0
C A:ASP66 4.9 14.3 1.0
OG1 A:THR69 4.9 12.7 1.0
N A:ASP66 4.9 12.9 1.0
CA A:PRO70 5.0 18.3 1.0

Reference:

Z.Seraj, A.Seyedarabi. Crystal Structure of Hewl in Complex with Cinnamaldehyde (in the Aroma Form) After 5 Hours Under Fibrillation Conditions To Be Published.
Page generated: Sat Jul 12 11:24:33 2025

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