Chlorine in PDB 4xjb: X-Ray Structure of LYSOZYME1

All present enzymatic activity of X-Ray Structure of LYSOZYME1:
3.2.1.17;

The structure of X-Ray Structure of LYSOZYME1, PDB code: 4xjb was solved by C.Y.Huang, V.Olieric, K.Diederichs, M.Wang, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.55 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.090, 79.090, 38.290, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.3

The structure of X-Ray Structure of LYSOZYME1 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of LYSOZYME1 (pdb code 4xjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of LYSOZYME1, PDB code: 4xjb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of LYSOZYME1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of LYSOZYME1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.6 occ:0.82 OH A:TYR23 3.0 22.0 1.0 O A:HOH319 3.4 29.1 1.0 CZ A:TYR23 3.7 21.2 1.0 CE2 A:TYR23 3.7 18.7 1.0 CA A:GLY104 4.1 23.3 1.0 O A:HOH303 4.5 33.9 1.0 O A:ARG21 4.7 28.6 1.0 N A:GLY104 4.7 21.7 1.0 CE1 A:TYR23 4.9 21.7 1.0 CD2 A:TYR23 5.0 19.3 1.0

Chlorine binding site 2 out of 5 in the X-Ray Structure of LYSOZYME1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of LYSOZYME1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:36.2 occ:0.81 OG A:SER24 3.0 31.5 1.0 N A:GLY26 3.1 20.8 1.0 CA A:GLY26 3.4 22.1 1.0 CB A:SER24 3.5 27.2 1.0 CA A:GLN121 3.7 29.8 0.9 CD1 A:ILE124 4.0 38.2 1.0 N A:LEU25 4.0 21.8 1.0 N A:GLN121 4.1 25.5 0.9 CB A:GLN121 4.1 38.0 0.9 C A:SER24 4.2 28.1 1.0 C A:LEU25 4.2 20.2 1.0 CG2 A:VAL120 4.3 29.0 1.0 CG1 A:ILE124 4.4 30.9 1.0 C A:VAL120 4.4 26.3 1.0 O A:VAL120 4.4 26.1 1.0 CA A:SER24 4.5 23.2 1.0 CG A:GLN121 4.5 48.9 0.9 C A:GLY26 4.5 22.6 1.0 CA A:LEU25 4.6 21.6 1.0 O A:SER24 4.7 22.1 1.0 N A:ASN27 4.7 19.0 1.0 C A:GLN121 4.8 28.9 0.9 CB A:LEU25 4.9 29.4 1.0

Chlorine binding site 3 out of 5 in the X-Ray Structure of LYSOZYME1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of LYSOZYME1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:38.7 occ:0.57 O A:HOH330 2.9 26.9 1.0 O A:THR69 3.0 38.3 1.0 N A:THR69 3.2 29.9 1.0 OD1 A:ASN65 3.5 39.9 1.0 C A:THR69 3.6 36.5 1.0 N A:ARG68 3.6 22.6 1.0 N A:GLY67 3.6 24.8 1.0 OG A:SER72 3.6 38.3 1.0 CA A:GLY67 3.7 25.8 1.0 C A:GLY67 3.7 31.0 1.0 CA A:THR69 3.8 28.9 1.0 O A:HOH337 4.0 35.8 0.8 OD1 A:ASP66 4.2 26.6 1.0 C A:ARG68 4.2 30.4 1.0 CB A:THR69 4.2 28.2 1.0 CA A:ARG68 4.3 24.1 1.0 N A:PRO70 4.5 43.7 1.0 O A:GLY67 4.5 31.8 1.0 CG A:ASN65 4.6 31.8 1.0 N A:ASP66 4.6 22.6 1.0 C A:ASP66 4.7 26.9 1.0 NA A:NA206 4.7 29.6 0.8 OG1 A:THR69 4.8 27.6 1.0 CB A:SER72 4.8 42.9 1.0 CA A:PRO70 4.9 47.9 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of LYSOZYME1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of LYSOZYME1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:48.6 occ:0.61 N A:ILE88 3.4 29.7 1.0 OD1 A:ASP87 3.6 36.8 1.0 CG1 A:ILE88 3.6 25.4 1.0 CE1 A:HIS15 3.9 37.9 1.0 CA A:ASP87 4.0 25.4 1.0 C A:ASP87 4.2 31.5 1.0 NH2 A:ARG14 4.3 48.7 1.0 O A:SER86 4.3 34.7 1.0 CB A:ILE88 4.3 25.3 1.0 CB A:ALA11 4.4 29.4 1.0 CA A:ILE88 4.4 26.8 1.0 CG A:ASP87 4.4 42.3 1.0 CD1 A:ILE88 4.5 28.5 1.0 CG2 A:ILE88 4.5 25.6 1.0 ND1 A:HIS15 4.6 36.1 1.0 CZ A:PHE3 4.7 31.1 1.0 CB A:ASP87 4.7 34.1 1.0 NE2 A:HIS15 4.8 43.8 1.0 N A:THR89 4.9 28.1 1.0

Chlorine binding site 5 out of 5 in the X-Ray Structure of LYSOZYME1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of LYSOZYME1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:38.0 occ:0.62 NH1 A:ARG68 3.1 34.0 1.0 CD A:ARG68 3.7 35.1 1.0 CZ A:ARG68 4.2 34.1 1.0 NE A:ARG68 4.4 32.0 1.0 NH2 A:ARG45 4.6 52.6 1.0 CB A:ARG68 4.9 27.8 1.0 CG A:ARG68 4.9 31.2 1.0

C.Y.Huang, V.Olieric, P.Ma, E.Panepucci, K.Diederichs, M.Wang, M.Caffrey. In Meso in Situ Serial X-Ray Crystallography of Soluble and Membrane Proteins. Acta Crystallogr.,Sect.D V. 71 1238 2015.
ISSN: ESSN 1399-0047
PubMed: 26057665
DOI: 10.1107/S1399004715005210