Chlorine in PDB 9fc9: Hen Egg-White Lysozyme Incubated at 50% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 50% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 50% Relative Humidity, PDB code: 9fc9 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)	28.16 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.656, 79.656, 37.327, 90, 90, 90
R / Rfree (%)	15.8 / 18.5

The structure of Hen Egg-White Lysozyme Incubated at 50% 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 50% Relative Humidity (pdb code 9fc9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hen Egg-White Lysozyme Incubated at 50% Relative Humidity, PDB code: 9fc9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Hen Egg-White Lysozyme Incubated at 50% 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 50% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:20.9 occ:1.00 HH A:TYR23 2.3 19.3 1.0 O A:HOH362 3.0 50.9 1.0 OH A:TYR23 3.1 16.0 1.0 HE2 A:TYR23 3.2 17.6 1.0 H12 A:EDO201 3.2 49.1 1.0 O A:HOH337 3.3 25.5 1.0 HA3 A:GLY104 3.4 17.3 1.0 H11 A:EDO201 3.6 49.1 1.0 CE2 A:TYR23 3.7 14.7 1.0 CZ A:TYR23 3.7 14.2 1.0 C1 A:EDO201 3.9 40.9 1.0 HA2 A:GLY104 4.1 17.3 1.0 CA A:GLY104 4.1 14.4 1.0 H21 A:EDO201 4.3 54.1 1.0 O A:ARG21 4.6 21.5 0.5 O A:ARG21 4.6 21.5 0.5 N A:GLY104 4.7 14.9 1.0 C2 A:EDO201 4.7 45.0 1.0 HB3 A:ARG21 4.8 28.8 0.5 H A:MET105 4.8 15.9 1.0 H A:GLY104 4.9 17.9 1.0 CE1 A:TYR23 4.9 13.5 1.0 CD2 A:TYR23 4.9 15.3 1.0 HO1 A:EDO201 5.0 27.9 1.0 HB3 A:ARG21 5.0 28.8 0.5 O1 A:EDO201 5.0 23.3 1.0

Chlorine binding site 2 out of 4 in the Hen Egg-White Lysozyme Incubated at 50% 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 50% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:28.8 occ:1.00 H A:SER24 2.4 19.7 1.0 HG A:SER24 2.5 28.0 1.0 HD21 A:ASN27 2.7 18.9 1.0 HB3 A:SER24 3.1 22.2 1.0 OG A:SER24 3.2 23.3 1.0 N A:SER24 3.3 16.4 1.0 ND2 A:ASN27 3.3 15.7 1.0 HD22 A:ASN27 3.3 18.9 1.0 HA A:TYR23 3.4 18.3 1.0 O A:HOH306 3.5 30.0 1.0 CB A:SER24 3.5 18.4 1.0 O A:GLY22 3.6 20.3 1.0 H21 A:EDO205 3.9 64.3 1.0 HO2 A:EDO205 4.0 36.4 1.0 CA A:SER24 4.0 16.6 1.0 O A:HOH393 4.1 48.9 1.0 CA A:TYR23 4.2 15.2 1.0 C A:TYR23 4.3 15.1 1.0 HB2 A:SER24 4.4 22.2 1.0 CG A:ASN27 4.5 15.6 1.0 C A:GLY22 4.6 19.4 1.0 HA A:SER24 4.6 19.9 1.0 O2 A:EDO205 4.7 30.3 1.0 C2 A:EDO205 4.7 53.5 1.0 HG21 A:VAL120 4.7 28.0 1.0 H22 A:EDO205 4.8 64.3 1.0 N A:TYR23 4.9 16.6 1.0 OD1 A:ASN19 5.0 35.3 0.5 HD1 A:TYR23 5.0 16.3 1.0

Chlorine binding site 3 out of 4 in the Hen Egg-White Lysozyme Incubated at 50% Relative Humidity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hen Egg-White Lysozyme Incubated at 50% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:54.9 occ:1.00 HH22 A:ARG14 2.3 32.4 0.5 H A:ILE88 2.6 22.8 1.0 HG12 A:ILE88 2.8 27.9 1.0 NH2 A:ARG14 3.1 27.0 0.5 HA A:ASP87 3.1 28.5 1.0 N A:ILE88 3.4 19.0 1.0 HH21 A:ARG14 3.4 32.4 0.5 OD1 A:ASP87 3.5 32.0 1.0 NE2 A:HIS15 3.5 36.2 1.0 CG1 A:ILE88 3.6 23.3 1.0 HH12 A:ARG14 3.6 50.6 0.5 HG13 A:ILE88 3.7 27.9 1.0 HB1 A:ALA11 3.9 25.4 1.0 CA A:ASP87 3.9 23.8 1.0 H A:THR89 4.1 25.8 1.0 CZ A:ARG14 4.1 38.5 0.5 C A:ASP87 4.1 23.8 1.0 HG23 A:ILE88 4.1 27.9 1.0 NH1 A:ARG14 4.2 42.1 0.5 CG A:ASP87 4.2 44.1 1.0 HD2 A:HIS15 4.2 29.5 1.0 CD2 A:HIS15 4.3 24.6 1.0 CA A:ILE88 4.3 18.7 1.0 HZ A:PHE3 4.4 28.4 1.0 CB A:ILE88 4.4 17.2 1.0 CE1 A:HIS15 4.5 31.3 1.0 HD11 A:ILE88 4.5 34.6 1.0 N A:THR89 4.5 21.4 1.0 O A:SER86 4.5 32.0 1.0 CD1 A:ILE88 4.7 28.8 1.0 HE1 A:HIS15 4.7 37.6 1.0 CB A:ASP87 4.7 31.8 1.0 OG1 A:THR89 4.7 27.2 1.0 CB A:ALA11 4.7 21.1 1.0 HB2 A:ALA11 4.7 25.4 1.0 C A:ILE88 4.8 20.4 1.0 CG2 A:ILE88 4.8 23.2 1.0 HD13 A:ILE88 4.9 34.6 1.0

Chlorine binding site 4 out of 4 in the Hen Egg-White Lysozyme Incubated at 50% Relative Humidity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Hen Egg-White Lysozyme Incubated at 50% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:48.4 occ:1.00 HE2 A:PHE38 2.8 24.7 1.0 HZ2 A:LYS33 3.0 53.4 1.0 O A:HOH389 3.0 80.7 1.0 HD3 A:ARG5 3.2 28.5 1.0 HB2 A:ARG5 3.3 29.4 1.0 HZ3 A:TRP123 3.3 35.1 1.0 HD3 A:LYS33 3.5 32.1 1.0 CE2 A:PHE38 3.7 20.6 1.0 NZ A:LYS33 3.8 44.5 1.0 HE2 A:LYS33 3.9 45.9 1.0 HZ3 A:LYS33 4.0 53.4 1.0 CD A:ARG5 4.1 23.8 1.0 HZ A:PHE38 4.1 21.1 1.0 CB A:ARG5 4.2 24.5 1.0 CE A:LYS33 4.2 38.2 1.0 CZ3 A:TRP123 4.2 29.2 1.0 CD A:LYS33 4.3 26.8 1.0 CZ A:PHE38 4.3 17.6 1.0 O A:HOH383 4.3 45.5 1.0 HZ1 A:LYS33 4.5 53.4 1.0 HB3 A:ARG5 4.5 29.4 1.0 HG3 A:ARG5 4.6 30.8 1.0 CG A:ARG5 4.6 25.6 1.0 HE A:ARG5 4.6 34.8 1.0 HD2 A:PHE38 4.6 23.2 1.0 CD2 A:PHE38 4.6 19.3 1.0 HD2 A:ARG5 4.6 28.5 1.0 HE3 A:TRP123 4.7 25.6 1.0 NE A:ARG5 4.8 29.0 1.0 HD2 A:LYS33 4.9 32.1 1.0 H A:ARG5 4.9 27.2 1.0 CE3 A:TRP123 4.9 21.4 1.0 HH2 A:TRP123 5.0 32.6 1.0

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