Chlorine in PDB 4xjh: X-Ray Structure of LYSOZYMES1

All present enzymatic activity of X-Ray Structure of LYSOZYMES1:
3.2.1.17;

The structure of X-Ray Structure of LYSOZYMES1, PDB code: 4xjh 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 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.100, 79.100, 38.240, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.5

The structure of X-Ray Structure of LYSOZYMES1 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the X-Ray Structure of LYSOZYMES1 (pdb code 4xjh). 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 LYSOZYMES1, PDB code: 4xjh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of LYSOZYMES1


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 LYSOZYMES1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.3 occ:0.89 OH A:TYR23 2.9 21.9 1.0 O A:HOH334 3.1 40.5 0.8 CZ A:TYR23 3.6 18.7 1.0 CE2 A:TYR23 3.7 21.9 1.0 CA A:GLY104 4.1 23.2 1.0 O A:HOH303 4.5 31.7 1.0 O A:ARG21 4.7 25.5 1.0 N A:GLY104 4.7 21.5 1.0 CE1 A:TYR23 4.8 22.8 1.0 CD2 A:TYR23 4.9 18.4 1.0

Chlorine binding site 2 out of 5 in the X-Ray Structure of LYSOZYMES1


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 LYSOZYMES1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:32.5 occ:0.74 OG A:SER24 3.0 28.3 1.0 N A:GLY26 3.0 18.3 1.0 CA A:GLY26 3.4 18.1 1.0 CB A:SER24 3.4 26.7 1.0 CA A:GLN121 3.6 27.8 0.9 CD1 A:ILE124 3.7 37.0 1.0 CB A:GLN121 3.9 35.6 0.9 CG A:GLN121 4.0 46.0 0.9 N A:LEU25 4.0 23.7 1.0 N A:GLN121 4.1 25.6 0.9 C A:SER24 4.2 26.3 1.0 C A:LEU25 4.2 19.9 1.0 CG1 A:ILE124 4.2 27.8 1.0 O A:VAL120 4.4 24.4 1.0 C A:VAL120 4.4 28.7 1.0 CA A:SER24 4.4 22.2 1.0 CG2 A:VAL120 4.5 24.2 1.0 C A:GLY26 4.5 19.5 1.0 CA A:LEU25 4.5 21.3 1.0 O A:SER24 4.6 21.7 1.0 N A:ASN27 4.7 17.3 1.0 C A:GLN121 4.8 27.4 0.9 CD A:GLN121 4.8 61.8 0.9 CB A:LEU25 4.9 26.9 1.0 NE2 A:GLN121 4.9 58.3 0.9

Chlorine binding site 3 out of 5 in the X-Ray Structure of LYSOZYMES1


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 LYSOZYMES1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:37.2 occ:0.64 O A:THR69 2.9 32.0 1.0 O A:HOH336 3.0 23.8 1.0 N A:THR69 3.1 26.0 1.0 C A:THR69 3.4 28.5 1.0 N A:ARG68 3.6 21.8 1.0 OG A:SER72 3.6 36.9 1.0 OD1 A:ASN65 3.6 33.3 1.0 CA A:THR69 3.7 29.1 1.0 C A:GLY67 3.7 26.7 1.0 CA A:GLY67 3.8 22.3 1.0 N A:GLY67 3.8 21.3 1.0 O A:HOH346 3.9 29.2 0.8 C A:ARG68 4.1 28.3 1.0 CB A:THR69 4.1 25.8 1.0 N A:PRO70 4.2 36.2 1.0 CA A:ARG68 4.3 21.8 1.0 OD1 A:ASP66 4.3 23.0 1.0 O A:GLY67 4.4 32.2 1.0 CA A:PRO70 4.7 37.0 1.0 CB A:SER72 4.8 33.6 1.0 CG A:ASN65 4.8 31.0 1.0 NA A:NA206 4.8 26.3 0.7 OG1 A:THR69 4.8 23.2 1.0 N A:ASP66 4.8 21.4 1.0 C A:ASP66 4.9 25.5 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of LYSOZYMES1


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 LYSOZYMES1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:41.3 occ:0.60 N A:ILE88 3.4 24.9 1.0 CG1 A:ILE88 3.6 27.2 1.0 CA A:ASP87 3.9 26.8 1.0 O A:SER86 4.0 32.8 1.0 OD1 A:ASP87 4.1 31.0 1.0 C A:ASP87 4.1 28.8 1.0 CE1 A:HIS15 4.2 29.6 1.0 CZ A:PHE3 4.2 31.3 1.0 CB A:ILE88 4.3 21.4 1.0 CG2 A:ILE88 4.3 26.0 1.0 CA A:ILE88 4.4 25.7 1.0 CB A:ALA11 4.4 25.9 1.0 CD1 A:ILE88 4.4 22.9 1.0 CG A:ASP87 4.6 36.9 1.0 CB A:ASP87 4.8 26.3 1.0 CE2 A:PHE3 4.8 30.2 1.0 C A:SER86 4.8 27.1 1.0 N A:ASP87 4.8 24.9 1.0 ND1 A:HIS15 4.9 32.8 1.0

Chlorine binding site 5 out of 5 in the X-Ray Structure of LYSOZYMES1


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 LYSOZYMES1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:33.9 occ:0.56 NH1 A:ARG68 3.2 29.9 1.0 CD A:ARG68 3.7 27.3 1.0 CZ A:ARG68 4.2 29.7 1.0 NE A:ARG68 4.4 28.6 1.0 CG A:ARG68 4.9 22.9 1.0 CB A:ARG68 4.9 24.7 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