Chlorine in PDB 6mx9: Lysozyme Bound to 3-Aminophenol

All present enzymatic activity of Lysozyme Bound to 3-Aminophenol:
3.2.1.17;

The structure of Lysozyme Bound to 3-Aminophenol, PDB code: 6mx9 was solved by A.Blackburn, S.H.Partowmah, H.M.Brennan, K.E.Mestizo, C.D.Stivala, J.Petreczky, A.Perez, A.Horn, S.Mcsweeney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.31 / 1.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.085, 80.085, 37.197, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.6

The structure of Lysozyme Bound to 3-Aminophenol also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Lysozyme Bound to 3-Aminophenol (pdb code 6mx9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Lysozyme Bound to 3-Aminophenol, PDB code: 6mx9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Lysozyme Bound to 3-Aminophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme Bound to 3-Aminophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:33.3 occ:1.00 O A:HOH495 2.8 51.8 1.0 O A:HOH456 3.2 42.0 1.0 N A:ILE88 3.3 17.1 1.0 O A:HOH333 3.4 30.9 1.0 CG1 A:ILE88 3.7 16.3 1.0 CA A:ASP87 3.9 19.4 1.0 NE2 A:HIS15 3.9 24.5 1.0 O A:SER86 4.0 22.6 1.0 C A:ASP87 4.1 16.9 1.0 CZ A:PHE3 4.2 15.2 1.0 CB A:ILE88 4.2 14.8 1.0 CG2 A:ILE88 4.3 17.1 1.0 CB A:ALA11 4.3 16.3 1.0 OD1 A:ASP87 4.3 24.1 1.0 CA A:ILE88 4.3 15.5 1.0 CD1 A:ILE88 4.5 16.7 1.0 CD2 A:HIS15 4.6 19.8 1.0 CE1 A:HIS15 4.8 26.8 1.0 N A:ASP87 4.8 17.6 1.0 CE2 A:PHE3 4.8 14.2 1.0 CB A:ASP87 4.8 20.6 1.0 C A:SER86 4.8 18.8 1.0 CG A:ASP87 4.9 25.9 1.0

Chlorine binding site 2 out of 5 in the Lysozyme Bound to 3-Aminophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme Bound to 3-Aminophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:18.5 occ:1.00 OH A:TYR23 3.0 13.1 1.0 O A:HOH421 3.2 42.8 1.0 O A:HOH385 3.3 19.7 1.0 CE2 A:TYR23 3.7 11.1 1.0 CZ A:TYR23 3.7 10.9 1.0 CA A:GLY104 4.1 12.6 1.0 N A:GLY104 4.6 13.5 1.0 O A:ARG21 4.7 18.2 0.5 O A:ARG21 4.7 18.5 0.5 CE1 A:TYR23 4.9 10.8 1.0 CD2 A:TYR23 4.9 11.5 1.0 O A:HOH331 5.0 20.8 1.0

Chlorine binding site 3 out of 5 in the Lysozyme Bound to 3-Aminophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme Bound to 3-Aminophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:22.2 occ:1.00 O A:HOH500 2.8 44.6 1.0 OG A:SER24 3.0 17.9 1.0 N A:GLY26 3.2 12.1 1.0 O A:HOH445 3.4 39.2 1.0 CB A:SER24 3.5 16.4 1.0 CA A:GLN121 3.5 19.4 1.0 CA A:GLY26 3.6 12.7 1.0 CD1 A:ILE124 3.9 22.5 1.0 N A:GLN121 3.9 17.8 1.0 CB A:GLN121 3.9 26.4 1.0 N A:LEU25 4.1 13.4 1.0 CG2 A:VAL120 4.2 16.6 1.0 C A:VAL120 4.2 16.3 1.0 O A:VAL120 4.2 16.2 1.0 C A:SER24 4.2 15.0 1.0 CG1 A:ILE124 4.3 19.3 1.0 O A:HOH314 4.3 47.3 1.0 C A:LEU25 4.3 12.7 1.0 CG A:GLN121 4.4 34.9 1.0 CA A:SER24 4.5 13.6 1.0 C A:GLY26 4.6 11.8 1.0 N A:ASN27 4.6 10.8 1.0 O A:SER24 4.6 13.6 1.0 CA A:LEU25 4.6 13.1 1.0 O A:HOH424 4.7 25.9 0.5 C A:GLN121 4.8 17.5 1.0

Chlorine binding site 4 out of 5 in the Lysozyme Bound to 3-Aminophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lysozyme Bound to 3-Aminophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:36.6 occ:1.00 O A:HOH419 3.4 40.9 1.0 O A:HOH433 3.5 20.3 0.5 NZ A:LYS33 3.6 25.6 1.0 CE2 A:PHE38 3.7 13.6 1.0 CE A:LYS33 3.9 21.4 1.0 CD A:LYS33 4.2 18.4 1.0 CZ3 A:TRP123 4.2 20.0 1.0 CB A:ARG5 4.2 19.2 1.0 CD A:ARG5 4.3 18.5 1.0 CZ A:PHE38 4.4 13.4 1.0 CD2 A:PHE38 4.6 13.5 1.0 CG A:ARG5 4.7 16.8 1.0 O A:HOH444 4.8 23.0 0.5 NE A:ARG5 5.0 20.4 1.0

Chlorine binding site 5 out of 5 in the Lysozyme Bound to 3-Aminophenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lysozyme Bound to 3-Aminophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:18.5 occ:1.00 O A:HOH388 3.1 12.6 1.0 O A:HOH431 3.2 26.5 1.0 N A:THR69 3.2 13.1 1.0 O A:THR69 3.3 15.8 1.0 O A:HOH370 3.3 29.7 1.0 N A:ARG68 3.5 13.0 1.0 OD1 A:ASN65 3.6 15.9 1.0 N A:GLY67 3.6 12.8 1.0 C A:GLY67 3.6 16.0 1.0 CA A:GLY67 3.6 13.7 1.0 OG A:SER72 3.7 17.0 1.0 C A:THR69 3.7 14.4 1.0 CA A:THR69 3.9 13.6 1.0 O A:HOH397 3.9 17.6 1.0 CB A:THR69 4.2 14.8 1.0 OD1 A:ASP66 4.2 11.9 1.0 C A:ARG68 4.2 13.9 1.0 O A:GLY67 4.3 18.1 1.0 CA A:ARG68 4.3 14.1 1.0 N A:PRO70 4.5 14.9 1.0 NA A:NA202 4.7 14.7 1.0 C A:ASP66 4.7 12.5 1.0 CG A:ASN65 4.8 14.1 1.0 CB A:SER72 4.8 16.0 1.0 N A:ASP66 4.8 10.8 1.0 OG1 A:THR69 4.8 13.5 1.0 CA A:PRO70 4.9 17.7 1.0

A.Blackburn, S.H.Partowmah, H.M.Brennan, K.E.Mestizo, C.D.Stivala, J.Petreczky, A.Perez, A.Horn, S.Mcsweeney. A Simple Technique to Improve Microcrystals Using Gel Exclusion of Nucleation Inducing Elements To Be Published.