Chlorine in PDB 9fc5: Hen Egg-White Lysozyme Incubated at 99% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 99% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 99% Relative Humidity, PDB code: 9fc5 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)	34.25 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.505, 79.505, 37.95, 90, 90, 90
R / Rfree (%)	14.7 / 17.9

The structure of Hen Egg-White Lysozyme Incubated at 99% 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 99% Relative Humidity (pdb code 9fc5). 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 99% Relative Humidity, PDB code: 9fc5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Hen Egg-White Lysozyme Incubated at 99% 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 99% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:26.0 occ:1.00 HH A:TYR23 2.3 22.4 1.0 O A:HOH391 3.0 54.0 1.0 OH A:TYR23 3.0 18.7 1.0 HE2 A:TYR23 3.2 20.4 1.0 HA3 A:GLY104 3.4 22.4 1.0 O A:HOH363 3.4 28.6 1.0 CZ A:TYR23 3.7 17.5 1.0 CE2 A:TYR23 3.7 16.9 1.0 HA2 A:GLY104 4.1 22.4 1.0 CA A:GLY104 4.1 18.7 1.0 O A:ARG21 4.7 23.9 0.5 O A:ARG21 4.7 23.9 0.5 N A:GLY104 4.7 19.5 1.0 H A:MET105 4.8 18.9 1.0 H A:GLY104 4.8 23.4 1.0 O A:HOH308 4.9 28.6 1.0 CE1 A:TYR23 4.9 16.8 1.0 CD2 A:TYR23 5.0 18.4 1.0 HB3 A:ARG21 5.0 33.2 0.5

Chlorine binding site 2 out of 2 in the Hen Egg-White Lysozyme Incubated at 99% 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 99% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:67.6 occ:1.00 H A:ILE88 2.5 28.6 1.0 HG12 A:ILE88 2.7 33.9 1.0 HA A:ASP87 2.9 29.7 1.0 N A:ILE88 3.3 23.9 1.0 O A:HOH395 3.4 46.8 0.8 CG1 A:ILE88 3.6 28.2 1.0 HG23 A:ILE88 3.7 30.4 1.0 O A:HOH329 3.7 51.6 1.0 HZ A:PHE3 3.7 35.3 1.0 HB1 A:ALA11 3.8 31.6 1.0 CA A:ASP87 3.8 24.7 1.0 OD1 A:ASP87 3.8 33.3 1.0 HH21 A:ARG14 3.8 62.2 0.5 HG13 A:ILE88 3.9 33.9 1.0 NE2 A:HIS15 4.0 37.3 1.0 C A:ASP87 4.0 28.0 1.0 O A:SER86 4.0 29.8 1.0 CA A:ILE88 4.3 20.9 1.0 CB A:ILE88 4.3 21.5 1.0 CG2 A:ILE88 4.4 25.3 1.0 HB2 A:ALA11 4.4 31.6 1.0 H A:THR89 4.4 27.2 1.0 HD11 A:ILE88 4.5 33.4 1.0 CG A:ASP87 4.5 37.9 1.0 CB A:ALA11 4.5 26.4 1.0 NH2 A:ARG14 4.6 51.9 0.5 CD1 A:ILE88 4.6 27.8 1.0 CZ A:PHE3 4.6 29.4 1.0 HD2 A:HIS15 4.6 32.8 1.0 CB A:ASP87 4.6 27.0 1.0 CD2 A:HIS15 4.7 27.3 1.0 N A:ASP87 4.7 24.9 1.0 HE2 A:PHE3 4.8 30.8 1.0 HH22 A:ARG14 4.8 62.2 0.5 HD13 A:ILE88 4.8 33.4 1.0 C A:SER86 4.8 23.9 1.0 HG21 A:ILE88 4.8 30.4 1.0 HB2 A:ASP87 4.9 32.4 1.0 N A:THR89 4.9 22.6 1.0 CE1 A:HIS15 5.0 41.4 1.0

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