Chlorine in PDB 9fcc: Hen Egg-White Lysozyme Incubated at 80% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 80% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 80% Relative Humidity, PDB code: 9fcc was solved by P.Y.A.Reinke, S.Guenther, S.Falke, M.Galchenkova, A.Rahmani Mashhour, A.Creon, J.Lieske, W.Ewert, A.C.Rorigues, S.Thekku Veedu, P.Fischer, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.74 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.479, 79.479, 37.886, 90, 90, 90
R / Rfree (%)	15.1 / 18.4

The structure of Hen Egg-White Lysozyme Incubated at 80% Relative Humidity also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Hen Egg-White Lysozyme Incubated at 80% Relative Humidity (pdb code 9fcc). 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 Incubated at 80% Relative Humidity, PDB code: 9fcc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hen Egg-White Lysozyme Incubated at 80% Relative Humidity


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 Incubated at 80% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.9 occ:1.00 HH A:TYR23 2.3 22.3 1.0 O A:HOH387 3.0 47.0 1.0 OH A:TYR23 3.0 18.6 1.0 HE2 A:TYR23 3.2 20.5 1.0 O A:HOH360 3.3 28.1 1.0 HA3 A:GLY104 3.4 22.4 1.0 CE2 A:TYR23 3.7 17.1 1.0 CZ A:TYR23 3.7 17.4 1.0 HA2 A:GLY104 4.0 22.4 1.0 CA A:GLY104 4.1 18.7 1.0 O A:ARG21 4.6 24.6 0.5 O A:ARG21 4.6 24.6 0.5 N A:GLY104 4.7 19.6 1.0 H A:MET105 4.8 18.8 1.0 H A:GLY104 4.9 23.6 1.0 CE1 A:TYR23 4.9 16.6 1.0 O A:HOH308 4.9 28.1 1.0 HB3 A:ARG21 4.9 32.3 0.5 CD2 A:TYR23 4.9 17.4 1.0

Chlorine binding site 2 out of 2 in the Hen Egg-White Lysozyme Incubated at 80% Relative Humidity


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 Incubated at 80% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:60.9 occ:1.00 H A:ILE88 2.4 26.9 1.0 HG12 A:ILE88 2.7 32.2 1.0 HA A:ASP87 2.8 29.1 1.0 N A:ILE88 3.2 22.4 1.0 O A:HOH397 3.3 44.7 0.9 CG1 A:ILE88 3.6 26.9 1.0 HG23 A:ILE88 3.6 31.5 1.0 HZ A:PHE3 3.7 33.2 1.0 CA A:ASP87 3.7 24.2 1.0 HB1 A:ALA11 3.8 30.2 1.0 OD1 A:ASP87 3.8 31.0 1.0 HG13 A:ILE88 3.9 32.2 1.0 HH21 A:ARG14 3.9 57.0 0.5 C A:ASP87 4.0 27.8 1.0 O A:SER86 4.0 29.9 1.0 NE2 A:HIS15 4.1 37.2 1.0 CA A:ILE88 4.3 19.7 1.0 CB A:ILE88 4.3 20.1 1.0 HB2 A:ALA11 4.4 30.2 1.0 CG2 A:ILE88 4.4 26.3 1.0 H A:THR89 4.4 27.5 1.0 CG A:ASP87 4.5 35.2 1.0 HD11 A:ILE88 4.5 30.0 1.0 CB A:ALA11 4.5 25.2 1.0 NH2 A:ARG14 4.6 47.5 0.5 CZ A:PHE3 4.6 27.7 1.0 HD2 A:HIS15 4.6 33.6 1.0 CD1 A:ILE88 4.6 25.0 1.0 CB A:ASP87 4.6 28.1 1.0 HH22 A:ARG14 4.6 57.0 0.5 HE2 A:PHE3 4.7 31.5 1.0 N A:ASP87 4.7 23.9 1.0 CD2 A:HIS15 4.7 28.0 1.0 C A:SER86 4.8 24.4 1.0 HG21 A:ILE88 4.8 31.5 1.0 HD13 A:ILE88 4.8 30.0 1.0 N A:THR89 4.9 22.9 1.0 HB2 A:ASP87 4.9 33.7 1.0 C A:ILE88 5.0 22.6 1.0

P.Y.A.Reinke, A.Meents. Exploring the Conformational Space of Proteins By Systematic Variation of the Relative Humidity To Be Published.