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

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

All present enzymatic activity of Crystal Structure of Hewl in Complex with Temed (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 Temed (in the Aroma Form) After 5 Hours Under Fibrillation Conditions, PDB code: 6aea 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) 56.19 / 1.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.460, 79.460, 36.950, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.8

Other elements in 6aea:

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

Chlorine binding site 1 out of 3 in 6aea

Go back to Chlorine Binding Sites List in 6aea
Chlorine binding site 1 out of 3 in the Crystal Structure of Hewl in Complex with Temed (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 Temed (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:21.3
occ:1.00
OG A:SER24 2.9 15.3 1.0
O A:HOH449 3.0 38.3 1.0
N A:GLY26 3.1 10.5 1.0
CB A:SER24 3.4 11.8 1.0
CA A:GLY26 3.6 9.1 1.0
CA A:GLN121 3.6 16.4 1.0
CD1 A:ILE124 3.8 21.9 1.0
CB A:GLN121 3.9 20.6 1.0
N A:GLN121 4.0 15.7 1.0
N A:LEU25 4.0 10.8 1.0
CG A:GLN121 4.0 26.3 1.0
C A:SER24 4.1 10.9 1.0
C A:LEU25 4.2 11.4 1.0
CG1 A:ILE124 4.2 18.1 1.0
CG2 A:VAL120 4.4 15.4 1.0
O A:VAL120 4.4 15.0 1.0
C A:VAL120 4.4 14.4 1.0
CA A:SER24 4.4 11.4 1.0
CA A:LEU25 4.5 11.0 1.0
O A:SER24 4.6 11.8 1.0
C A:GLY26 4.6 9.5 1.0
N A:ASN27 4.7 8.7 1.0
C A:GLN121 4.8 13.7 1.0
CB A:LEU25 4.9 13.2 1.0

Chlorine binding site 2 out of 3 in 6aea

Go back to Chlorine Binding Sites List in 6aea
Chlorine binding site 2 out of 3 in the Crystal Structure of Hewl in Complex with Temed (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 Temed (in the Aroma Form) After 5 Hours Under Fibrillation Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:16.9
occ:1.00
O A:HOH442 3.0 22.0 1.0
O A:HOH358 3.1 11.5 1.0
O A:HOH412 3.1 30.6 1.0
N A:THR69 3.3 14.2 1.0
O A:THR69 3.3 14.4 1.0
O A:HOH325 3.3 29.8 1.0
CA A:GLY67 3.6 12.5 1.0
N A:ARG68 3.6 13.0 1.0
OG A:SER72 3.6 13.7 1.0
C A:GLY67 3.6 14.9 1.0
OD1 A:ASN65 3.6 14.3 1.0
N A:GLY67 3.7 11.8 1.0
C A:THR69 3.7 14.0 1.0
O A:HOH368 3.9 16.2 1.0
CA A:THR69 3.9 13.6 1.0
CB A:THR69 4.3 13.9 1.0
OD1 A:ASP66 4.3 11.1 1.0
C A:ARG68 4.3 13.6 1.0
O A:GLY67 4.3 18.1 1.0
CA A:ARG68 4.3 13.2 1.0
O A:HOH451 4.4 36.8 1.0
N A:PRO70 4.6 15.5 1.0
NA A:NA204 4.6 12.6 1.0
CG A:ASN65 4.7 12.3 1.0
O A:HOH439 4.8 36.5 1.0
C A:ASP66 4.8 11.9 1.0
CB A:SER72 4.8 14.2 1.0
N A:ASP66 4.8 9.9 1.0
O A:HOH380 4.8 24.8 0.5
OG1 A:THR69 4.9 12.8 1.0
O A:HOH374 5.0 42.6 1.0

Chlorine binding site 3 out of 3 in 6aea

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

b:16.3
occ:1.00
OH A:TYR23 3.0 11.0 1.0
O A:HOH370 3.2 15.6 1.0
O A:HOH385 3.2 37.9 1.0
CE2 A:TYR23 3.6 8.8 1.0
CZ A:TYR23 3.7 9.7 1.0
CA A:GLY104 4.1 11.6 1.0
O A:ARG21 4.5 14.2 1.0
N A:GLY104 4.7 11.4 1.0
CD2 A:TYR23 4.8 8.7 1.0
CE1 A:TYR23 4.9 9.3 1.0

Reference:

Z.Seraj, A.Seyedarabi. Crystal Structure of Hewl in Complex with Temed (in the Aroma Form) After 5 Hours Under Fibrillation Conditions To Be Published.
Page generated: Fri Jul 26 22:00:36 2024

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