Chlorine in PDB 7a70: Hew Lysozyme in Complex with Ti(Oh)4

All present enzymatic activity of Hew Lysozyme in Complex with Ti(Oh)4:
3.2.1.17;

The structure of Hew Lysozyme in Complex with Ti(Oh)4, PDB code: 7a70 was solved by V.Calderone, L.Gigli, E.Ravera, C.Luchinat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.61 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.09, 78.09, 37.29, 90, 90, 90
R / Rfree (%)	19.4 / 23.9

The structure of Hew Lysozyme in Complex with Ti(Oh)4 also contains other interesting chemical elements:

Titanium	(Ti)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Hew Lysozyme in Complex with Ti(Oh)4 (pdb code 7a70). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hew Lysozyme in Complex with Ti(Oh)4, PDB code: 7a70:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hew Lysozyme in Complex with Ti(Oh)4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hew Lysozyme in Complex with Ti(Oh)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:27.3 occ:1.00 OH A:TYR23 3.0 19.2 1.0 O A:HOH359 3.5 24.1 1.0 CZ A:TYR23 3.8 21.2 1.0 CE2 A:TYR23 3.8 17.1 1.0 CA A:GLY104 4.0 15.7 1.0 O A:HOH361 4.3 38.8 1.0 N A:GLY104 4.5 18.5 1.0 O A:ARG21 4.6 24.8 1.0 O A:HOH328 4.9 22.2 1.0 CE1 A:TYR23 4.9 19.5 1.0 CD2 A:TYR23 5.0 19.8 1.0

Chlorine binding site 2 out of 4 in the Hew Lysozyme in Complex with Ti(Oh)4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hew Lysozyme in Complex with Ti(Oh)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:35.2 occ:1.00 N A:GLY26 3.1 19.4 1.0 OG A:SER24 3.1 20.1 1.0 CB A:SER24 3.5 30.2 1.0 CA A:GLY26 3.6 22.6 1.0 CA A:GLN121 3.7 28.8 1.0 CD1 A:ILE124 3.8 37.3 1.0 N A:LEU25 4.0 26.4 1.0 CB A:GLN121 4.0 40.7 1.0 N A:GLN121 4.1 28.7 1.0 C A:LEU25 4.2 21.7 1.0 C A:SER24 4.2 22.8 1.0 CG1 A:ILE124 4.3 32.1 1.0 CG A:GLN121 4.4 47.1 1.0 CG2 A:VAL120 4.4 27.2 1.0 C A:VAL120 4.5 24.6 1.0 O A:VAL120 4.5 27.4 1.0 CA A:LEU25 4.5 20.0 1.0 CA A:SER24 4.5 26.2 1.0 CD A:GLN121 4.5 58.9 1.0 OE1 A:GLN121 4.6 66.5 1.0 C A:GLY26 4.7 23.3 1.0 O A:SER24 4.7 22.0 1.0 N A:ASN27 4.8 24.2 1.0 CB A:LEU25 4.8 26.7 1.0 C A:GLN121 4.9 30.3 1.0 O A:HOH376 4.9 41.7 1.0

Chlorine binding site 3 out of 4 in the Hew Lysozyme in Complex with Ti(Oh)4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hew Lysozyme in Complex with Ti(Oh)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:48.4 occ:1.00 N A:ILE88 3.5 25.3 1.0 CE1 A:HIS15 3.6 35.0 1.0 CG1 A:ILE88 3.7 25.1 1.0 OD1 A:ASP87 3.9 31.5 1.0 CA A:ASP87 4.0 28.8 1.0 NH2 A:ARG14 4.2 45.9 1.0 O A:SER86 4.2 30.1 1.0 C A:ASP87 4.2 28.5 1.0 CB A:ALA11 4.3 34.1 1.0 ND1 A:HIS15 4.4 30.7 1.0 CB A:ILE88 4.4 29.0 1.0 CA A:ILE88 4.4 26.7 1.0 CG2 A:ILE88 4.5 28.1 1.0 CD1 A:ILE88 4.6 25.1 1.0 CZ A:PHE3 4.6 26.8 1.0 NE2 A:HIS15 4.6 41.1 1.0 CG A:ASP87 4.6 37.8 1.0 CB A:ASP87 4.7 30.3 1.0 N A:THR89 4.9 26.1 1.0 N A:ASP87 5.0 30.0 1.0

Chlorine binding site 4 out of 4 in the Hew Lysozyme in Complex with Ti(Oh)4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hew Lysozyme in Complex with Ti(Oh)4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:38.1 occ:1.00 O A:HOH347 3.0 22.4 1.0 O A:THR69 3.0 28.4 1.0 N A:THR69 3.2 22.6 1.0 N A:ARG68 3.5 28.5 1.0 C A:THR69 3.6 31.5 1.0 OG A:SER72 3.6 31.8 1.0 OD1 A:ASN65 3.7 32.1 1.0 C A:GLY67 3.7 26.8 1.0 CA A:THR69 3.8 26.2 1.0 CA A:GLY67 3.9 26.0 1.0 N A:GLY67 3.9 28.6 1.0 O A:HOH369 3.9 24.3 1.0 C A:ARG68 4.1 26.4 1.0 CB A:THR69 4.2 27.5 1.0 CA A:ARG68 4.3 28.6 1.0 OD1 A:ASP66 4.3 28.0 1.0 O A:GLY67 4.4 33.4 1.0 N A:PRO70 4.5 30.6 1.0 NA A:NA201 4.6 33.1 1.0 O A:HOH375 4.7 25.1 0.5 OG1 A:THR69 4.8 28.4 1.0 CG A:ASN65 4.8 30.5 1.0 CA A:PRO70 4.9 32.3 1.0 CB A:SER72 4.9 28.6 1.0 C A:ASP66 5.0 24.6 1.0

L.Gigli, E.Ravera, V.Calderone, C.Luchinat. On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction Between A Mononuclear Inorganic Precursor and Lysozyme. Biomolecules V. 11 2020.
ISSN: ESSN 2218-273X
PubMed: 33396930
DOI: 10.3390/BIOM11010043