Chlorine in PDB 5kxk: Hen Egg White Lysozyme at 100K, Data Set 1

All present enzymatic activity of Hen Egg White Lysozyme at 100K, Data Set 1:
3.2.1.17;

The structure of Hen Egg White Lysozyme at 100K, Data Set 1, PDB code: 5kxk was solved by S.Russi, A.Gonzalez, L.R.Kenner, D.A.Keedy, J.S.Fraser, H.Van Den Bedem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.65 / 1.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.289, 77.289, 37.205, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 18.1

The structure of Hen Egg White Lysozyme at 100K, Data Set 1 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Hen Egg White Lysozyme at 100K, Data Set 1 (pdb code 5kxk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Hen Egg White Lysozyme at 100K, Data Set 1, PDB code: 5kxk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hen Egg White Lysozyme at 100K, Data Set 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hen Egg White Lysozyme at 100K, Data Set 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:11.1 occ:1.00 O A:HOH341 3.1 8.6 1.0 O A:HOH435 3.1 17.7 1.0 O A:HOH391 3.2 14.8 1.0 N A:THR69 3.3 9.3 0.6 N A:THR69 3.3 9.7 0.4 O A:THR69 3.3 10.6 0.4 O A:HOH312 3.3 21.7 1.0 O A:THR69 3.4 10.2 0.6 OG A:SER72 3.5 11.3 1.0 C A:GLY67 3.5 9.6 1.0 N A:ARG68 3.5 9.0 0.6 N A:ARG68 3.5 9.0 0.4 CA A:GLY67 3.6 9.4 1.0 OD1 A:ASN65 3.6 7.5 0.1 N A:GLY67 3.7 8.5 1.0 C A:THR69 3.7 10.5 0.4 C A:THR69 3.7 10.0 0.6 OD1 A:ASN65 3.8 9.1 0.9 O A:HOH339 3.9 10.9 1.0 CA A:THR69 3.9 9.6 0.6 CA A:THR69 3.9 10.4 0.4 O A:GLY67 4.1 11.2 1.0 CB A:THR69 4.2 9.3 0.6 OD1 A:ASP66 4.3 7.9 0.1 C A:ARG68 4.3 9.4 0.4 OD1 A:ASP66 4.3 7.2 0.9 C A:ARG68 4.3 9.8 0.6 CB A:THR69 4.3 10.5 0.4 CA A:ARG68 4.4 9.3 0.4 CA A:ARG68 4.4 9.8 0.6 N A:PRO70 4.6 11.2 0.4 O A:HOH452 4.6 40.8 1.0 NA A:NA202 4.6 10.0 1.0 N A:PRO70 4.6 11.8 0.6 CG A:ASN65 4.7 8.0 0.1 CB A:SER72 4.8 11.5 1.0 C A:ASP66 4.8 8.1 0.9 C A:ASP66 4.8 8.4 0.1 OG1 A:THR69 4.9 8.2 0.6 O A:HOH336 4.9 12.6 0.5 N A:ASP66 4.9 6.8 0.9 OG1 A:THR69 4.9 9.9 0.4 N A:ASP66 4.9 8.2 0.1 CG A:ASN65 5.0 9.0 0.9 O A:HOH439 5.0 32.6 1.0

Chlorine binding site 2 out of 2 in the Hen Egg White Lysozyme at 100K, Data Set 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hen Egg White Lysozyme at 100K, Data Set 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:17.2 occ:1.00 OG A:SER24 3.0 11.8 0.7 N A:GLY26 3.1 7.8 1.0 OG A:SER24 3.1 9.1 0.0 OG A:SER24 3.3 8.7 0.3 O A:HOH442 3.3 39.2 1.0 CB A:SER24 3.4 9.0 0.0 CD1 A:ILE124 3.5 14.2 0.4 CB A:SER24 3.5 10.8 0.7 CA A:GLY26 3.5 8.0 1.0 CA A:GLN121 3.5 11.5 0.5 CB A:SER24 3.6 9.0 0.3 CB A:GLN121 3.8 14.0 0.5 CA A:GLN121 3.8 13.0 0.2 CG A:GLN121 3.9 17.1 0.5 CG2 A:VAL120 3.9 11.7 0.2 N A:GLN121 3.9 10.4 0.5 O A:VAL120 4.0 11.9 0.2 CA A:GLN121 4.0 12.9 0.2 N A:LEU25 4.1 8.7 0.0 N A:LEU25 4.1 8.6 0.3 CD1 A:ILE124 4.1 11.2 0.1 O A:VAL120 4.2 12.0 0.2 N A:GLN121 4.2 12.7 0.2 N A:GLN121 4.2 12.3 0.2 N A:LEU25 4.2 8.6 0.7 C A:VAL120 4.2 11.8 0.2 CG1 A:ILE124 4.2 13.4 0.4 C A:LEU25 4.3 8.0 0.3 C A:LEU25 4.3 8.2 0.0 CD1 A:ILE124 4.3 12.1 0.5 C A:LEU25 4.3 8.1 0.7 CB A:GLN121 4.3 14.1 0.2 C A:VAL120 4.3 9.2 0.5 C A:SER24 4.3 8.8 0.7 O A:VAL120 4.3 8.6 0.5 C A:SER24 4.3 8.8 0.3 C A:VAL120 4.3 12.2 0.2 CD A:GLN121 4.4 20.1 0.5 CG2 A:VAL120 4.4 10.2 0.5 NE2 A:GLN121 4.4 21.4 0.5 C A:SER24 4.4 8.9 0.0 C A:GLY26 4.5 7.3 1.0 CA A:SER24 4.5 8.9 0.0 CG1 A:ILE124 4.5 11.5 0.1 CA A:SER24 4.5 9.5 0.7 CG1 A:ILE124 4.6 11.5 0.5 CA A:SER24 4.6 8.8 0.3 N A:ASN27 4.6 7.3 1.0 CA A:LEU25 4.7 8.4 0.3 CA A:LEU25 4.7 8.6 0.0 CA A:LEU25 4.7 8.5 0.7 CB A:VAL120 4.7 11.4 0.2 C A:GLN121 4.7 10.6 0.5 CG2 A:VAL120 4.7 12.5 0.2 O A:SER24 4.8 8.9 0.7 CB A:GLN121 4.8 14.1 0.2 CG2 A:ILE124 4.8 11.7 0.1 CG A:GLN121 4.8 15.2 0.2 O A:SER24 4.9 9.2 0.3 O A:GLN121 4.9 10.9 0.5 C A:GLN121 4.9 12.3 0.2 CB A:LEU25 4.9 8.6 0.3 CB A:LEU25 5.0 9.0 0.7 CB A:LEU25 5.0 8.7 0.0

S.Russi, A.Gonzalez, L.R.Kenner, D.A.Keedy, J.S.Fraser, H.Van Den Bedem. Conformational Variation of Proteins at Room Temperature Is Not Dominated By Radiation Damage. J Synchrotron Radiat V. 24 73 2017.
ISSN: ESSN 1600-5775
PubMed: 28009548
DOI: 10.1107/S1600577516017343