Chlorine in PDB 5kkj: 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K

All present enzymatic activity of 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K:
3.2.1.17;

The structure of 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K, PDB code: 5kkj was solved by J.Broecker, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.95 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.064, 79.064, 38.336, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 20

The structure of 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K (pdb code 5kkj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K, PDB code: 5kkj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:30.1 occ:1.00 OH A:TYR23 2.9 17.4 1.0 O A:HOH331 3.4 28.7 1.0 CZ A:TYR23 3.6 19.8 1.0 CE2 A:TYR23 3.6 17.7 1.0 CA A:GLY104 4.0 20.7 1.0 N A:GLY104 4.5 19.3 1.0 O A:ARG21 4.7 25.3 1.0 O A:HOH315 4.7 27.3 1.0 CE1 A:TYR23 4.8 19.2 1.0 CD2 A:TYR23 4.9 14.6 1.0

Chlorine binding site 2 out of 2 in the 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.0-Angstrom in Situ Mylar Structure of Hen Egg-White Lysozyme (Hewl) at 293 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:40.6 occ:1.00 N A:GLY26 3.0 14.9 1.0 OG A:SER24 3.0 24.8 1.0 CA A:GLY26 3.4 13.8 1.0 CB A:SER24 3.5 24.4 1.0 CA A:GLN121 3.6 29.8 1.0 CD1 A:ILE124 3.8 36.8 1.0 CB A:GLN121 3.8 46.7 1.0 N A:LEU25 4.0 19.1 1.0 CG A:GLN121 4.0 62.8 1.0 N A:GLN121 4.0 30.2 1.0 C A:LEU25 4.2 22.9 1.0 C A:SER24 4.2 29.7 1.0 CG1 A:ILE124 4.3 26.1 1.0 CG2 A:VAL120 4.3 25.4 1.0 C A:VAL120 4.4 25.7 1.0 CD A:GLN121 4.4 82.7 1.0 O A:VAL120 4.4 24.6 1.0 C A:GLY26 4.5 18.7 1.0 CA A:SER24 4.5 21.5 1.0 CA A:LEU25 4.5 22.4 1.0 OE1 A:GLN121 4.5 98.6 1.0 O A:SER24 4.6 20.8 1.0 N A:ASN27 4.6 14.5 1.0 C A:GLN121 4.8 27.1 1.0 CB A:LEU25 4.8 28.9 1.0 O A:GLN121 4.9 29.1 1.0

J.Broecker, V.Klingel, W.L.Ou, A.R.Balo, D.J.Kissick, C.M.Ogata, A.Kuo, O.P.Ernst. A Versatile System For High-Throughput in Situ X-Ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des V. 16 6318 2016.
ISSN: ISSN 1528-7483
PubMed: 28261000
DOI: 10.1021/ACS.CGD.6B00950