Chlorine in PDB 4ng8: Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.

All present enzymatic activity of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.:
3.2.1.17;

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K., PDB code: 4ng8 was solved by P.Benas, L.Legrand, M.Ries-Kautt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.82 / 1.09
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.935, 78.935, 37.065, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 17.6

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. also contains other interesting chemical elements:

Caesium

(Cs)

9 atoms

The binding sites of Chlorine atom in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. (pdb code 4ng8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K., PDB code: 4ng8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:13.8 occ:0.98 OH A:TYR23 3.0 11.9 1.0 O A:HOH301 3.1 21.9 0.9 CZ A:TYR23 3.6 10.9 1.0 CE2 A:TYR23 3.7 11.2 1.0 CA A:GLY104 4.2 11.5 1.0 O A:ARG21 4.6 13.9 1.0 N A:GLY104 4.7 11.4 1.0 CE1 A:TYR23 4.8 10.8 1.0 CD2 A:TYR23 4.9 11.3 1.0 O A:HOH454 5.0 22.0 1.0

Chlorine binding site 2 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:16.7 occ:0.86 OG A:SER24 3.1 16.4 1.0 N A:GLY26 3.1 11.8 1.0 CA A:GLY26 3.5 11.7 1.0 CB A:SER24 3.5 13.3 1.0 CA A:GLN121 3.6 16.1 1.0 N A:GLN121 3.9 14.5 1.0 CB A:GLN121 4.1 19.9 1.0 CD1 A:ILE124 4.1 25.6 1.0 O A:VAL120 4.2 13.8 1.0 C A:VAL120 4.2 13.5 1.0 N A:LEU25 4.2 13.1 1.0 CG2 A:VAL120 4.3 16.6 1.0 CG1 A:ILE124 4.3 19.5 1.0 C A:LEU25 4.3 12.1 1.0 C A:SER24 4.4 13.0 1.0 C A:GLY26 4.5 10.4 1.0 N A:ASN27 4.6 11.0 1.0 CA A:SER24 4.6 12.8 1.0 CA A:LEU25 4.7 12.8 1.0 C A:GLN121 4.8 15.0 1.0 O A:SER24 4.9 13.3 1.0 CB A:VAL120 5.0 14.9 1.0 CG2 A:ILE124 5.0 19.4 1.0

P.Benas, N.Auzeil, L.Legrand, F.Brachet, A.Regazzetti, M.Ries-Kautt. Weak Protein-Cationic Co-Ion Interactions Addressed By X-Ray Crystallography and Mass Spectrometry. Acta Crystallogr.,Sect.D V. 70 2217 2014.
ISSN: ISSN 0907-4449
PubMed: 25084340
DOI: 10.1107/S1399004714011304