Chlorine in PDB 6ac2: Crystal Structure of Hewl at pH 2.2

All present enzymatic activity of Crystal Structure of Hewl at pH 2.2:
3.2.1.17;

The structure of Crystal Structure of Hewl at pH 2.2, PDB code: 6ac2 was solved by A.Seyedarabi, Z.Seraj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.25 / 1.23
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.130, 78.130, 36.940, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.4

The structure of Crystal Structure of Hewl at pH 2.2 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Hewl at pH 2.2 (pdb code 6ac2). 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 at pH 2.2, PDB code: 6ac2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Hewl at pH 2.2


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 at pH 2.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:14.9 occ:1.00 OH A:TYR23 3.0 11.9 1.0 O A:HOH415 3.2 31.4 1.0 O A:HOH371 3.2 14.0 1.0 CE2 A:TYR23 3.7 11.3 1.0 CZ A:TYR23 3.7 10.7 1.0 CA A:GLY104 4.1 11.1 1.0 O A:ARG21 4.6 13.5 1.0 N A:GLY104 4.6 12.0 1.0 CE1 A:TYR23 4.9 10.5 1.0 CD2 A:TYR23 4.9 11.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Hewl at pH 2.2


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 at pH 2.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:19.4 occ:1.00 O A:HOH429 2.9 36.5 1.0 OG A:SER24 3.1 17.5 1.0 N A:GLY26 3.1 12.1 1.0 CA A:GLY26 3.5 11.8 1.0 CB A:SER24 3.5 15.1 1.0 CA A:GLN121 3.6 19.4 1.0 CD1 A:ILE124 3.8 27.0 1.0 CB A:GLN121 3.9 22.2 1.0 N A:GLN121 4.0 16.4 1.0 N A:LEU25 4.1 12.5 1.0 CG A:GLN121 4.2 26.3 1.0 CG1 A:ILE124 4.2 19.5 1.0 C A:LEU25 4.2 13.2 1.0 O A:VAL120 4.2 15.1 1.0 CG2 A:VAL120 4.3 17.2 1.0 C A:SER24 4.3 13.2 1.0 C A:VAL120 4.3 15.5 1.0 C A:GLY26 4.5 10.8 1.0 CA A:SER24 4.5 12.4 1.0 CA A:LEU25 4.6 13.0 1.0 N A:ASN27 4.6 10.7 1.0 O A:SER24 4.7 14.3 1.0 C A:GLN121 4.9 14.9 1.0 CB A:LEU25 5.0 14.8 1.0 O A:HOH432 5.0 49.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Hewl at pH 2.2


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 at pH 2.2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:13.9 occ:1.00 O A:HOH366 3.1 10.8 1.0 O A:HOH463 3.1 22.0 1.0 O A:HOH430 3.1 17.9 1.0 O A:HOH345 3.3 23.9 1.0 N A:THR69 3.3 11.0 1.0 O A:THR69 3.4 12.0 1.0 C A:GLY67 3.5 12.2 1.0 N A:ARG68 3.5 11.8 1.0 CA A:GLY67 3.6 11.5 1.0 OG A:SER72 3.6 12.7 1.0 N A:GLY67 3.7 10.6 1.0 C A:THR69 3.7 12.1 1.0 OD1 A:ASN65 3.7 13.4 1.0 CA A:THR69 3.9 11.4 1.0 O A:HOH398 3.9 13.7 1.0 O A:GLY67 4.2 13.7 1.0 CB A:THR69 4.3 10.7 1.0 OD1 A:ASP66 4.3 8.7 1.0 C A:ARG68 4.3 12.5 1.0 CA A:ARG68 4.4 12.2 1.0 O A:HOH494 4.4 29.2 1.0 N A:PRO70 4.5 12.5 1.0 NA A:NA206 4.7 11.2 1.0 C A:ASP66 4.7 10.0 1.0 O A:HOH403 4.8 18.4 0.5 O A:HOH466 4.8 36.4 1.0 OG1 A:THR69 4.9 10.6 1.0 CB A:SER72 4.9 12.7 1.0 CG A:ASN65 4.9 12.4 1.0 N A:ASP66 4.9 9.3 1.0

A.Seyedarabi, Z.Seraj. Crystal Structure of Hewl at pH 2.2 To Be Published.