Chlorine in PDB 9fca: Hen Egg-White Lysozyme Incubated at 40% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 40% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 40% Relative Humidity, PDB code: 9fca 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)	39.53 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.051, 79.051, 37.343, 90, 90, 90
R / Rfree (%)	15.5 / 17.7

The structure of Hen Egg-White Lysozyme Incubated at 40% 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 40% Relative Humidity (pdb code 9fca). 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 40% Relative Humidity, PDB code: 9fca:
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 40% 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 40% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:20.0 occ:1.00 HH A:TYR23 2.3 18.5 1.0 OH A:TYR23 3.0 15.4 1.0 HE2 A:TYR23 3.2 16.0 1.0 O A:HOH327 3.2 21.6 1.0 H12 A:EDO201 3.3 39.3 1.0 HA3 A:GLY104 3.4 17.6 1.0 CZ A:TYR23 3.7 12.7 1.0 CE2 A:TYR23 3.7 13.3 1.0 O A:HOH383 3.7 44.7 1.0 H11 A:EDO201 3.8 39.3 1.0 C1 A:EDO201 4.0 32.8 1.0 HA2 A:GLY104 4.1 17.6 1.0 CA A:GLY104 4.2 14.7 1.0 H21 A:EDO201 4.6 56.1 1.0 O A:ARG21 4.6 20.8 0.5 O A:ARG21 4.7 20.7 0.5 N A:GLY104 4.8 15.6 1.0 H A:MET105 4.8 15.1 1.0 HB3 A:ARG21 4.8 23.0 0.5 HB3 A:ARG21 4.9 22.9 0.5 HO1 A:EDO201 4.9 25.6 1.0 CE1 A:TYR23 4.9 13.3 1.0 H A:GLY104 4.9 18.7 1.0 C2 A:EDO201 5.0 46.8 1.0 CD2 A:TYR23 5.0 13.5 1.0

Chlorine binding site 2 out of 4 in the Hen Egg-White Lysozyme Incubated at 40% 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 40% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:25.2 occ:1.00 HG A:SER24 2.4 25.1 1.0 H A:SER24 2.4 17.3 1.0 HD21 A:ASN27 2.6 18.0 1.0 HB3 A:SER24 3.1 20.9 1.0 OG A:SER24 3.1 21.0 1.0 ND2 A:ASN27 3.3 15.0 1.0 N A:SER24 3.3 14.4 1.0 HD22 A:ASN27 3.3 18.0 1.0 HA A:TYR23 3.5 16.5 1.0 CB A:SER24 3.5 17.4 1.0 O A:GLY22 3.6 17.9 1.0 H21 A:EDO205 3.7 41.5 1.0 O A:HOH301 3.7 29.9 1.0 HO2 A:EDO205 3.9 34.6 1.0 CA A:SER24 4.0 15.4 1.0 CA A:TYR23 4.3 13.7 1.0 C A:TYR23 4.3 14.2 1.0 HB2 A:SER24 4.4 20.9 1.0 C2 A:EDO205 4.5 34.6 1.0 CG A:ASN27 4.5 15.0 1.0 O2 A:EDO205 4.5 28.8 1.0 H22 A:EDO205 4.6 41.5 1.0 HG21 A:VAL120 4.6 27.0 1.0 HA A:SER24 4.7 18.5 1.0 C A:GLY22 4.7 17.9 1.0 OD1 A:ASN27 4.9 14.9 1.0 N A:TYR23 5.0 15.4 1.0

Chlorine binding site 3 out of 4 in the Hen Egg-White Lysozyme Incubated at 40% 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 40% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:46.3 occ:1.00 HH22 A:ARG14 2.4 34.3 0.6 H A:ILE88 2.5 22.9 1.0 HG12 A:ILE88 2.7 27.8 1.0 HA A:ASP87 3.1 26.3 1.0 NH2 A:ARG14 3.2 28.6 0.6 N A:ILE88 3.3 19.1 1.0 OD1 A:ASP87 3.4 28.4 1.0 NE2 A:HIS15 3.5 28.2 1.0 CG1 A:ILE88 3.5 23.2 1.0 HH21 A:ARG14 3.6 34.3 0.6 HG13 A:ILE88 3.6 27.8 1.0 HH12 A:ARG14 3.8 45.2 0.6 HB1 A:ALA11 3.8 25.6 1.0 CA A:ASP87 3.9 21.9 1.0 H A:THR89 4.1 24.8 1.0 C A:ASP87 4.1 22.8 1.0 HG23 A:ILE88 4.1 31.0 1.0 HD2 A:HIS15 4.2 26.7 1.0 CZ A:ARG14 4.2 35.3 0.6 CD2 A:HIS15 4.2 22.2 1.0 CA A:ILE88 4.3 17.2 1.0 CG A:ASP87 4.3 35.5 1.0 NH1 A:ARG14 4.3 37.6 0.6 CB A:ILE88 4.4 19.6 1.0 HZ A:PHE3 4.4 27.4 1.0 CE1 A:HIS15 4.4 31.0 1.0 HD11 A:ILE88 4.4 34.5 1.0 N A:THR89 4.5 20.6 1.0 HE1 A:HIS15 4.6 37.1 1.0 O A:SER86 4.6 28.1 1.0 OG1 A:THR89 4.6 25.9 1.0 CD1 A:ILE88 4.6 28.7 1.0 CB A:ASP87 4.7 27.8 1.0 CB A:ALA11 4.7 21.4 1.0 C A:ILE88 4.7 18.0 1.0 HB2 A:ALA11 4.7 25.6 1.0 CG2 A:ILE88 4.8 25.8 1.0 HD13 A:ILE88 4.9 34.5 1.0 HB2 A:ASP87 4.9 33.4 1.0 HG1 A:THR89 5.0 31.0 1.0 HH21 A:ARG14 5.0 40.0 0.4

Chlorine binding site 4 out of 4 in the Hen Egg-White Lysozyme Incubated at 40% 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 40% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:47.8 occ:1.00 HE2 A:PHE38 2.9 23.2 1.0 HZ2 A:LYS33 3.0 45.3 1.0 O A:HOH354 3.1 48.7 1.0 HD3 A:ARG5 3.2 29.3 1.0 HB2 A:ARG5 3.2 29.7 1.0 HZ3 A:TRP123 3.5 29.4 1.0 HD3 A:LYS33 3.6 27.0 1.0 CE2 A:PHE38 3.7 19.3 1.0 NZ A:LYS33 3.8 37.7 1.0 HE2 A:LYS33 3.9 44.0 1.0 HZ3 A:LYS33 3.9 45.3 1.0 HZ A:PHE38 4.1 17.9 1.0 CD A:ARG5 4.1 24.4 1.0 CB A:ARG5 4.2 24.8 1.0 CE A:LYS33 4.2 36.6 1.0 O A:HOH382 4.2 51.7 1.0 CD A:LYS33 4.3 22.5 1.0 CZ3 A:TRP123 4.3 24.5 1.0 CZ A:PHE38 4.4 14.9 1.0 HZ1 A:LYS33 4.5 45.3 1.0 HE A:ARG5 4.5 34.5 1.0 HB3 A:ARG5 4.5 29.7 1.0 CG A:ARG5 4.6 22.8 1.0 HG3 A:ARG5 4.6 27.3 1.0 HD2 A:PHE38 4.7 23.1 1.0 CD2 A:PHE38 4.7 19.3 1.0 HD2 A:ARG5 4.8 29.3 1.0 HE3 A:TRP123 4.8 24.5 1.0 NE A:ARG5 4.8 28.8 1.0 HD2 A:LYS33 4.9 27.0 1.0 H A:ARG5 4.9 25.4 1.0

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