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

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

All present enzymatic activity of Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions, PDB code: 6ahh 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) 37.00 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.667, 78.667, 37.382, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 24.6

Other elements in 6ahh:

The structure of Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions (pdb code 6ahh). 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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions, PDB code: 6ahh:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6ahh

Go back to Chlorine Binding Sites List in 6ahh
Chlorine binding site 1 out of 3 in the Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:12.6
occ:1.00
O A:HOH363 3.0 2.2 1.0
N A:THR69 3.0 10.2 1.0
O A:THR69 3.2 10.9 1.0
O A:HOH368 3.2 17.1 1.0
O A:HOH384 3.4 27.1 1.0
N A:ARG68 3.4 8.5 1.0
C A:THR69 3.6 10.8 1.0
C A:GLY67 3.6 7.9 1.0
OG A:SER72 3.7 8.2 1.0
CA A:GLY67 3.8 6.9 1.0
CA A:THR69 3.8 10.5 1.0
N A:GLY67 3.8 6.4 1.0
OD1 A:ASN65 3.8 6.6 1.0
O A:HOH366 4.0 5.9 1.0
C A:ARG68 4.0 10.0 1.0
CA A:ARG68 4.1 9.8 1.0
OD1 A:ASP66 4.2 5.0 1.0
CB A:THR69 4.2 10.4 1.0
O A:GLY67 4.3 8.0 1.0
N A:PRO70 4.4 11.3 1.0
OG1 A:THR69 4.8 10.2 1.0
NA A:NA207 4.8 7.4 1.0
C A:ASP66 4.8 5.7 1.0
N A:ASP66 4.9 4.9 1.0
CA A:PRO70 4.9 12.0 1.0
CB A:SER72 4.9 9.1 1.0

Chlorine binding site 2 out of 3 in 6ahh

Go back to Chlorine Binding Sites List in 6ahh
Chlorine binding site 2 out of 3 in the Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:9.4
occ:1.00
OH A:TYR23 2.9 3.3 1.0
O A:HOH341 3.3 11.9 1.0
CZ A:TYR23 3.7 3.4 1.0
CE2 A:TYR23 3.7 3.4 1.0
CA A:GLY104 4.0 6.5 1.0
N A:GLY104 4.5 7.1 1.0
O A:ARG21 4.8 8.6 1.0
CE1 A:TYR23 4.9 3.4 1.0
O A:HOH321 4.9 4.6 1.0

Chlorine binding site 3 out of 3 in 6ahh

Go back to Chlorine Binding Sites List in 6ahh
Chlorine binding site 3 out of 3 in the Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (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 Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:14.8
occ:1.00
OG A:SER24 3.0 4.9 1.0
N A:GLY26 3.0 3.3 1.0
O A:HOH376 3.1 22.2 1.0
CB A:SER24 3.4 4.6 1.0
CA A:GLY26 3.4 3.2 1.0
CA A:GLN121 3.7 13.0 1.0
N A:LEU25 3.9 4.0 1.0
O A:HOH301 4.0 27.0 1.0
CB A:GLN121 4.0 15.8 1.0
N A:GLN121 4.1 11.9 1.0
CD1 A:ILE124 4.1 14.3 1.0
C A:SER24 4.1 4.2 1.0
C A:LEU25 4.1 3.6 1.0
CG A:GLN121 4.2 18.5 1.0
CG2 A:VAL120 4.2 10.7 1.0
CG1 A:ILE124 4.3 13.1 1.0
C A:VAL120 4.4 11.6 1.0
CA A:SER24 4.4 4.3 1.0
O A:VAL120 4.4 10.4 1.0
CA A:LEU25 4.4 3.9 1.0
O A:SER24 4.5 4.0 1.0
C A:GLY26 4.5 3.1 1.0
N A:ASN27 4.7 2.9 1.0
CB A:LEU25 4.8 4.3 1.0
C A:GLN121 5.0 11.5 1.0

Reference:

Z.Seraj, A.Seyedarabi. Crystal Structure of Hewl in Complex with Phenylethyl Alcohol (in the Aroma Form) After 5 Hours Under Fibrillation Conditions To Be Published.
Page generated: Sat Jul 12 11:24:08 2025

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