Chlorine in PDB 9fc8: Hen Egg-White Lysozyme Incubated at 60% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 60% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 60% Relative Humidity, PDB code: 9fc8 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)	21.68 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.718, 79.718, 37.477, 90, 90, 90
R / Rfree (%)	15.8 / 19.4

The structure of Hen Egg-White Lysozyme Incubated at 60% 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 60% Relative Humidity (pdb code 9fc8). 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 60% Relative Humidity, PDB code: 9fc8:
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 60% 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 60% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:24.1 occ:1.00 HH A:TYR23 2.3 22.1 1.0 OH A:TYR23 3.0 18.4 1.0 HE2 A:TYR23 3.2 19.6 1.0 H12 A:EDO201 3.2 44.0 1.0 O A:HOH357 3.3 57.7 1.0 O A:HOH340 3.3 27.5 1.0 HA3 A:GLY104 3.4 22.6 1.0 H11 A:EDO201 3.5 44.0 1.0 CE2 A:TYR23 3.7 16.3 1.0 CZ A:TYR23 3.7 15.9 1.0 C1 A:EDO201 3.9 36.6 1.0 HA2 A:GLY104 4.1 22.6 1.0 CA A:GLY104 4.1 18.8 1.0 H21 A:EDO201 4.5 59.8 1.0 O A:ARG21 4.6 23.6 0.5 O A:ARG21 4.6 23.6 0.5 N A:GLY104 4.7 17.9 1.0 HB3 A:ARG21 4.8 31.6 0.5 C2 A:EDO201 4.8 49.8 1.0 H A:MET105 4.8 19.6 1.0 H A:GLY104 4.8 21.5 1.0 HO1 A:EDO201 4.9 30.8 1.0 CE1 A:TYR23 4.9 17.3 1.0 CD2 A:TYR23 5.0 17.1 1.0 O1 A:EDO201 5.0 25.7 1.0 HB3 A:ARG21 5.0 31.6 0.5

Chlorine binding site 2 out of 4 in the Hen Egg-White Lysozyme Incubated at 60% 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 60% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:34.5 occ:1.00 H A:SER24 2.3 23.5 1.0 HG A:SER24 2.5 31.7 1.0 HD21 A:ASN27 2.7 23.4 1.0 HB3 A:SER24 3.0 25.5 1.0 N A:SER24 3.2 19.5 1.0 OG A:SER24 3.2 26.4 1.0 ND2 A:ASN27 3.3 19.5 1.0 HD22 A:ASN27 3.3 23.4 1.0 HA A:TYR23 3.3 22.4 1.0 CB A:SER24 3.5 21.2 1.0 O A:GLY22 3.5 23.4 1.0 CA A:SER24 3.9 19.4 1.0 O A:HOH378 4.0 57.9 1.0 H21 A:EDO205 4.0 82.2 1.0 CA A:TYR23 4.1 18.6 1.0 C A:TYR23 4.1 17.6 1.0 HO2 A:EDO205 4.2 45.9 1.0 HB2 A:SER24 4.4 25.5 1.0 O A:HOH333 4.5 46.6 1.0 C A:GLY22 4.5 22.5 1.0 CG A:ASN27 4.5 18.8 1.0 HA A:SER24 4.6 23.3 1.0 C2 A:EDO205 4.8 68.5 1.0 N A:TYR23 4.8 20.6 1.0 H22 A:EDO205 4.8 82.2 1.0 HG21 A:VAL120 4.9 30.3 1.0 OD1 A:ASN19 4.9 43.8 0.5 O2 A:EDO205 5.0 38.2 1.0 OD1 A:ASN19 5.0 29.5 0.5 HD1 A:TYR23 5.0 21.0 1.0 C A:SER24 5.0 18.9 1.0

Chlorine binding site 3 out of 4 in the Hen Egg-White Lysozyme Incubated at 60% 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 60% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:60.5 occ:1.00 HH22 A:ARG14 2.4 33.6 0.5 H A:ILE88 2.5 27.3 1.0 HG12 A:ILE88 2.7 33.3 1.0 HA A:ASP87 2.9 30.7 1.0 NH2 A:ARG14 3.2 28.0 0.5 N A:ILE88 3.3 22.7 1.0 HH21 A:ARG14 3.5 33.6 0.5 CG1 A:ILE88 3.6 27.7 1.0 OD1 A:ASP87 3.7 33.0 1.0 CA A:ASP87 3.8 25.6 1.0 HB1 A:ALA11 3.8 29.8 1.0 HG13 A:ILE88 3.9 33.3 1.0 HH12 A:ARG14 3.9 56.4 0.5 HG23 A:ILE88 3.9 32.5 1.0 NE2 A:HIS15 3.9 38.6 1.0 HZ A:PHE3 4.0 36.3 1.0 C A:ASP87 4.1 27.9 1.0 O A:SER86 4.2 31.0 1.0 CZ A:ARG14 4.2 43.1 0.5 H A:THR89 4.3 28.4 1.0 CA A:ILE88 4.3 20.9 1.0 CB A:ILE88 4.4 20.4 1.0 CG A:ASP87 4.4 41.0 1.0 NH1 A:ARG14 4.4 47.0 0.5 HD2 A:HIS15 4.5 34.3 1.0 HD11 A:ILE88 4.5 33.7 1.0 HB2 A:ALA11 4.5 29.8 1.0 CD2 A:HIS15 4.6 28.6 1.0 CG2 A:ILE88 4.6 27.1 1.0 CB A:ALA11 4.6 24.8 1.0 CB A:ASP87 4.6 30.4 1.0 CD1 A:ILE88 4.6 28.1 1.0 N A:THR89 4.7 23.7 1.0 N A:ASP87 4.8 25.2 1.0 HD13 A:ILE88 4.8 33.7 1.0 HB2 A:ASP87 4.9 36.5 1.0 CZ A:PHE3 4.9 30.2 1.0 CE1 A:HIS15 4.9 42.1 1.0 C A:ILE88 4.9 23.0 1.0 C A:SER86 5.0 26.0 1.0 HE2 A:PHE3 5.0 30.2 1.0

Chlorine binding site 4 out of 4 in the Hen Egg-White Lysozyme Incubated at 60% 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 60% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:63.8 occ:1.00 HE2 A:PHE38 2.9 27.9 1.0 HZ2 A:LYS33 2.9 56.4 1.0 HZ3 A:TRP123 3.4 36.8 1.0 HD3 A:ARG5 3.5 29.4 1.0 O A:HOH372 3.5 78.6 1.0 HD3 A:LYS33 3.5 33.6 1.0 HB2 A:ARG5 3.5 34.4 1.0 NZ A:LYS33 3.7 47.0 1.0 CE2 A:PHE38 3.8 23.2 1.0 HE2 A:LYS33 3.8 55.5 1.0 HZ3 A:LYS33 3.8 56.4 1.0 CE A:LYS33 4.1 46.2 1.0 CD A:LYS33 4.2 28.0 1.0 HZ A:PHE38 4.3 24.7 1.0 CZ3 A:TRP123 4.3 30.6 1.0 HZ1 A:LYS33 4.4 56.4 1.0 CD A:ARG5 4.4 24.5 1.0 O A:HOH383 4.4 54.2 1.0 CB A:ARG5 4.4 28.6 1.0 CZ A:PHE38 4.5 20.6 1.0 HD2 A:PHE38 4.6 26.5 1.0 CD2 A:PHE38 4.7 22.1 1.0 HB3 A:ARG5 4.8 34.4 1.0 HE A:ARG5 4.8 40.0 1.0 HD2 A:LYS33 4.8 33.6 1.0 CG A:ARG5 4.9 25.6 1.0 HG3 A:ARG5 4.9 30.8 1.0 HE3 A:TRP123 4.9 29.1 1.0 HD2 A:ARG5 5.0 29.4 1.0

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