Chlorine in PDB 4ngj: Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl and Collected at 100 K

All present enzymatic activity of Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl and Collected at 100 K:
3.2.1.17;

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl and Collected at 100 K, PDB code: 4ngj 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)	39.51 / 1.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.024, 79.024, 37.216, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.3

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl and Collected at 100 K also contains other interesting chemical elements:

Rubidium

(Rb)

1 atom

The binding sites of Chlorine atom in the Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl and Collected at 100 K (pdb code 4ngj). 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 1.0 M Rbcl and Collected at 100 K, PDB code: 4ngj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl 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 1.0 M Rbcl and Collected at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:12.7 occ:1.00 OH A:TYR23 3.0 10.5 1.0 O A:HOH304 3.1 21.3 0.9 CZ A:TYR23 3.6 9.3 1.0 CE2 A:TYR23 3.7 9.6 1.0 CA A:GLY104 4.2 10.0 1.0 O A:ARG21 4.6 13.0 0.5 O A:ARG21 4.6 12.7 0.5 N A:GLY104 4.8 10.1 1.0 CE1 A:TYR23 4.8 9.5 1.0 CD2 A:TYR23 4.9 9.9 1.0

Chlorine binding site 2 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.0 M Rbcl 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 1.0 M Rbcl and Collected at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:16.2 occ:0.98 O A:HOH306 3.0 33.6 0.8 OG A:SER24 3.1 14.9 1.0 N A:GLY26 3.2 10.7 1.0 CA A:GLY26 3.5 10.7 1.0 CB A:SER24 3.5 12.6 1.0 CA A:GLN121 3.6 14.6 1.0 N A:GLN121 3.9 13.0 1.0 CD1 A:ILE124 3.9 23.1 1.0 CB A:GLN121 4.0 17.2 1.0 O A:VAL120 4.2 12.8 1.0 C A:VAL120 4.2 12.0 1.0 CG A:GLN121 4.2 20.2 1.0 CG2 A:VAL120 4.2 13.5 1.0 N A:LEU25 4.3 12.1 1.0 CG1 A:ILE124 4.3 19.5 1.0 C A:LEU25 4.3 11.3 1.0 C A:SER24 4.4 11.6 1.0 C A:GLY26 4.5 9.9 1.0 N A:ASN27 4.6 9.7 1.0 CA A:SER24 4.6 11.7 1.0 CA A:LEU25 4.8 11.4 1.0 C A:GLN121 4.8 13.2 1.0 O A:SER24 4.9 11.9 1.0 O A:HOH425 4.9 21.3 0.8 CB A:VAL120 5.0 12.8 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