Chlorine in PDB 8cl6: Lysozyme in Matrix of Hydroxyethylcellulose (Hec)

The structure of Lysozyme in Matrix of Hydroxyethylcellulose (Hec), PDB code: 8cl6 was solved by Q.Bertrand, M.W.Kepa, T.Weinert, M.Wranik, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.54 / 1.32
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.9, 77.9, 37.69, 90, 90, 90
R / Rfree (%)	12.1 / 15.6

The structure of Lysozyme in Matrix of Hydroxyethylcellulose (Hec) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Lysozyme in Matrix of Hydroxyethylcellulose (Hec) (pdb code 8cl6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Lysozyme in Matrix of Hydroxyethylcellulose (Hec), PDB code: 8cl6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Lysozyme in Matrix of Hydroxyethylcellulose (Hec)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme in Matrix of Hydroxyethylcellulose (Hec) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.4 occ:0.82 OH A:TYR23 2.9 16.2 1.0 O A:HOH378 3.2 60.2 1.0 O A:HOH365 3.2 22.2 1.0 CZ A:TYR23 3.6 14.9 1.0 CE2 A:TYR23 3.6 15.4 1.0 CA A:GLY104 4.0 15.8 1.0 O A:ARG21 4.6 20.9 0.3 O A:ARG21 4.6 21.1 0.7 N A:GLY104 4.6 16.7 1.0 O A:HOH320 4.8 24.8 1.0 CE1 A:TYR23 4.8 14.9 1.0 CD2 A:TYR23 4.8 15.0 1.0

Chlorine binding site 2 out of 3 in the Lysozyme in Matrix of Hydroxyethylcellulose (Hec)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme in Matrix of Hydroxyethylcellulose (Hec) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:27.0 occ:0.65 O A:HOH374 3.0 22.4 1.0 O A:THR69 3.1 22.2 1.0 N A:THR69 3.2 19.0 1.0 O A:HOH403 3.3 50.7 1.0 N A:ARG68 3.5 17.1 0.6 C A:THR69 3.5 21.3 1.0 OD1 A:ASN65 3.5 27.9 1.0 N A:ARG68 3.5 19.6 0.4 C A:GLY67 3.6 20.6 1.0 N A:GLY67 3.6 17.6 1.0 CA A:GLY67 3.7 19.6 1.0 CA A:THR69 3.8 19.4 1.0 OG A:SER72 3.8 27.6 1.0 O A:HOH406 4.0 27.0 1.0 CB A:THR69 4.1 18.4 1.0 C A:ARG68 4.1 18.8 0.6 OD1 A:ASP66 4.2 15.4 1.0 C A:ARG68 4.2 19.5 0.4 N A:PRO70 4.3 24.1 1.0 CA A:ARG68 4.3 17.9 0.6 O A:GLY67 4.3 24.0 1.0 CA A:ARG68 4.4 20.5 0.4 N A:ASP66 4.7 15.5 1.0 C A:ASP66 4.7 16.3 1.0 CA A:PRO70 4.7 26.5 1.0 O A:HOH301 4.7 16.9 1.0 CG A:ASN65 4.7 26.4 1.0 OG1 A:THR69 4.7 17.6 1.0 O A:HOH346 5.0 59.4 1.0

Chlorine binding site 3 out of 3 in the Lysozyme in Matrix of Hydroxyethylcellulose (Hec)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme in Matrix of Hydroxyethylcellulose (Hec) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:25.4 occ:0.71 OG A:SER24 3.0 22.4 1.0 O A:HOH364 3.0 56.9 1.0 O A:HOH423 3.0 52.4 1.0 N A:GLY26 3.0 16.0 1.0 CB A:SER24 3.4 19.5 1.0 CA A:GLY26 3.4 15.0 1.0 CA A:GLN121 3.6 24.3 1.0 CB A:GLN121 3.9 28.1 1.0 N A:GLN121 3.9 22.2 1.0 N A:LEU25 4.0 17.3 1.0 CD1 A:ILE124 4.1 27.6 1.0 C A:SER24 4.1 16.9 1.0 C A:LEU25 4.2 15.2 1.0 C A:VAL120 4.2 20.4 1.0 O A:VAL120 4.2 19.9 1.0 CG A:GLN121 4.3 31.4 0.7 CG1 A:ILE124 4.3 25.0 1.0 CG2 A:VAL120 4.3 22.5 1.0 CA A:SER24 4.4 17.4 1.0 C A:GLY26 4.5 14.6 1.0 O A:HOH382 4.5 44.4 0.8 CA A:LEU25 4.5 16.6 1.0 O A:SER24 4.6 16.9 1.0 N A:ASN27 4.6 14.0 1.0 C A:GLN121 4.8 23.6 1.0 CB A:LEU25 4.8 18.6 1.0

M.Wranik, M.W.Kepa, E.V.Beale, D.James, Q.Bertrand, T.Weinert, A.Furrer, H.Glover, D.Gashi, M.Carrillo, Y.Kondo, R.T.Stipp, G.Khusainov, K.Nass, D.Ozerov, C.Cirelli, P.J.M.Johnson, F.Dworkowski, J.H.Beale, S.Stubbs, T.Zamofing, M.Schneider, K.Krauskopf, L.Gao, O.Thorn-Seshold, C.Bostedt, C.Bacellar, M.O.Steinmetz, C.Milne, J.Standfuss. A Multi-Reservoir Extruder For Time-Resolved Serial Protein Crystallography and Compound Screening at X-Ray Free-Electron Lasers. Nat Commun V. 14 7956 2023.
ISSN: ESSN 2041-1723
PubMed: 38042952
DOI: 10.1038/S41467-023-43523-5