Chlorine in PDB 4ngw: Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 and Collected at 100 K

All present enzymatic activity of Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 and Collected at 100 K:
3.2.1.17;

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 and Collected at 100 K, PDB code: 4ngw 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)	55.62 / 1.37
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.665, 78.665, 37.129, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 18.8

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 and Collected at 100 K also contains other interesting chemical elements:

Ytterbium

(Yb)

3 atoms

The binding sites of Chlorine atom in the Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 and Collected at 100 K (pdb code 4ngw). 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 0.5 M YBCL3 and Collected at 100 K, PDB code: 4ngw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 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 0.5 M YBCL3 and Collected at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:17.1 occ:1.00 OH A:TYR23 3.0 13.3 1.0 O A:HOH307 3.1 24.5 0.9 CZ A:TYR23 3.7 11.9 1.0 CE2 A:TYR23 3.7 12.8 1.0 CA A:GLY104 4.2 13.1 1.0 O A:ARG21 4.6 16.8 0.5 O A:ARG21 4.6 16.1 0.5 N A:GLY104 4.8 13.9 1.0 CE1 A:TYR23 4.9 11.8 1.0 CD2 A:TYR23 4.9 11.7 1.0

Chlorine binding site 2 out of 2 in the Dialyzed Hew Lysozyme Batch Crystallized in 0.5 M YBCL3 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 0.5 M YBCL3 and Collected at 100 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:23.1 occ:0.95 OG A:SER24 3.1 19.4 1.0 N A:GLY26 3.1 13.0 1.0 CB A:SER24 3.5 16.6 1.0 CA A:GLY26 3.5 14.1 1.0 CA A:GLN121 3.7 19.9 1.0 CD1 A:ILE124 3.9 25.1 1.0 N A:GLN121 4.0 17.4 1.0 CB A:GLN121 4.2 25.7 1.0 N A:LEU25 4.2 16.6 1.0 O A:VAL120 4.3 16.8 1.0 C A:VAL120 4.3 16.6 1.0 CG1 A:ILE124 4.3 21.8 1.0 C A:LEU25 4.3 14.9 1.0 CG2 A:VAL120 4.4 18.9 1.0 C A:SER24 4.4 14.2 1.0 CG A:GLN121 4.5 32.2 1.0 C A:GLY26 4.5 13.0 1.0 CA A:SER24 4.6 15.1 1.0 N A:ASN27 4.6 12.7 1.0 CA A:LEU25 4.7 15.3 1.0 O A:SER24 4.8 14.2 1.0 C A:GLN121 4.8 18.9 1.0 O A:HOH426 4.9 37.1 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