Chlorine in PDB 6f1p: Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound

All present enzymatic activity of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound:
3.2.1.17;

The structure of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound, PDB code: 6f1p was solved by A.Camara-Artigas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.69 / 1.12
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.056, 77.056, 38.387, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 16.8

The structure of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound (pdb code 6f1p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound, PDB code: 6f1p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:22.7 occ:1.00 H A:GLY26 2.4 16.0 1.0 HA A:GLN121 2.7 23.8 1.0 HG A:SER24 2.8 21.6 1.0 HA3 A:GLY26 2.9 16.7 1.0 HB2 A:SER24 3.0 19.6 1.0 OG A:SER24 3.1 18.0 1.0 N A:GLY26 3.1 13.3 1.0 HD11 A:ILE124 3.4 28.6 1.0 HG23 A:VAL120 3.5 21.5 1.0 HB2 A:GLN121 3.5 28.5 1.0 CA A:GLY26 3.5 13.9 1.0 CA A:GLN121 3.5 19.8 1.0 HG2 A:GLN121 3.5 33.6 1.0 CB A:SER24 3.5 16.4 1.0 HG12 A:ILE124 3.6 26.9 1.0 HD13 A:ILE124 3.7 28.6 1.0 CB A:GLN121 3.9 23.8 1.0 N A:GLN121 3.9 18.2 1.0 CD1 A:ILE124 3.9 23.8 1.0 H A:LEU25 4.1 16.9 1.0 CG A:GLN121 4.1 28.0 1.0 HA2 A:GLY26 4.2 16.7 1.0 N A:LEU25 4.2 14.1 1.0 HB3 A:SER24 4.2 19.6 1.0 H A:ASN27 4.2 15.1 1.0 H A:GLN121 4.2 21.9 1.0 CG1 A:ILE124 4.3 22.4 1.0 C A:VAL120 4.3 16.6 1.0 HG3 A:GLN121 4.3 33.6 1.0 HB3 A:LEU25 4.3 17.7 1.0 C A:LEU25 4.3 13.7 1.0 O A:VAL120 4.3 16.7 1.0 C A:SER24 4.4 14.9 1.0 CG2 A:VAL120 4.4 17.9 1.0 C A:GLY26 4.5 12.5 1.0 CA A:SER24 4.6 15.5 1.0 N A:ASN27 4.7 12.6 1.0 HG21 A:VAL120 4.7 21.5 1.0 CA A:LEU25 4.7 14.1 1.0 C A:GLN121 4.8 18.5 1.0 HG13 A:ILE124 4.8 26.9 1.0 HB3 A:GLN121 4.8 28.5 1.0 O A:SER24 4.8 14.6 1.0 HD12 A:ILE124 4.8 28.6 1.0 HB A:VAL120 4.9 20.3 1.0 HG23 A:ILE124 4.9 24.0 1.0 HG22 A:VAL120 5.0 21.5 1.0 HG21 A:ILE124 5.0 24.0 1.0 O A:GLN121 5.0 18.5 1.0

Chlorine binding site 2 out of 3 in the Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:18.2 occ:1.00 HH A:TYR23 2.4 15.9 1.0 OH A:TYR23 3.0 13.3 1.0 HE2 A:TYR23 3.2 15.3 1.0 O A:HOH337 3.2 17.6 1.0 O A:HOH410 3.3 48.0 1.0 HA3 A:GLY104 3.4 17.8 1.0 CZ A:TYR23 3.6 12.4 1.0 CE2 A:TYR23 3.6 12.8 1.0 HA2 A:GLY104 4.1 17.8 1.0 CA A:GLY104 4.2 14.9 1.0 O A:ARG21 4.5 16.3 0.6 O A:ARG21 4.5 16.4 0.5 H A:MET105 4.7 14.7 1.0 N A:GLY104 4.7 16.4 1.0 CE1 A:TYR23 4.8 12.7 1.0 CD2 A:TYR23 4.9 13.3 1.0 H A:GLY104 4.9 19.7 1.0

Chlorine binding site 3 out of 3 in the Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetragonal Lysozyme Crystallized at 298 K and pH 4.5 with Phosphate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:36.9 occ:1.00 H A:THR69 2.3 20.8 1.0 HG A:SER72 2.9 41.8 0.5 H A:GLY67 3.0 19.2 1.0 OG A:SER72 3.1 34.8 0.5 O A:HOH371 3.1 16.8 1.0 N A:THR69 3.1 17.4 1.0 O A:THR69 3.2 20.7 1.0 HA2 A:GLY67 3.2 21.5 1.0 H A:ARG68 3.3 20.4 1.0 HG A:SER72 3.3 40.4 0.6 N A:ARG68 3.4 17.0 1.0 HB A:THR69 3.4 21.1 1.0 N A:GLY67 3.5 16.0 1.0 C A:GLY67 3.5 18.4 1.0 OD1 A:ASN65 3.5 22.1 1.0 CA A:GLY67 3.5 17.9 1.0 OG A:SER72 3.5 33.7 0.6 C A:THR69 3.6 22.4 1.0 HB3 A:SER72 3.6 40.0 0.6 CA A:THR69 3.8 18.9 1.0 H A:ASP66 4.0 17.3 1.0 HB3 A:SER72 4.0 41.2 0.5 O A:HOH301 4.0 22.2 0.7 OD1 A:ASP66 4.0 14.7 1.0 CB A:THR69 4.1 17.6 1.0 C A:ARG68 4.1 18.2 1.0 CB A:SER72 4.1 34.3 0.5 CB A:SER72 4.1 33.3 0.6 O A:GLY67 4.2 21.0 1.0 CA A:ARG68 4.2 17.3 1.0 HG1 A:THR69 4.2 19.8 1.0 HA A:ARG68 4.4 20.8 1.0 HA3 A:GLY67 4.5 21.5 1.0 N A:PRO70 4.5 28.3 1.0 H A:SER72 4.5 41.3 0.6 HB2 A:SER72 4.5 41.2 0.5 C A:ASP66 4.5 15.1 1.0 H A:SER72 4.6 41.7 0.5 HA A:PRO70 4.6 38.6 1.0 NA A:NA205 4.6 52.9 0.7 HB2 A:SER72 4.6 40.0 0.6 N A:ASP66 4.6 14.4 1.0 OG1 A:THR69 4.7 16.5 1.0 HA A:ASN65 4.7 18.6 1.0 HA A:THR69 4.7 22.6 1.0 CG A:ASN65 4.7 20.8 1.0 O A:HOH340 4.9 29.2 1.0 HD3 A:PRO70 5.0 36.2 1.0

M.Plaza-Garrido, M.C.Salinas-Garcia, A.Camara-Artigas. Orthorhombic Lysozyme Crystallization at Acidic pH Values Driven By Phosphate Binding. Acta Crystallogr D Struct V. 74 480 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 29717719
DOI: 10.1107/S205979831800517X