Chlorine in PDB 9fcb: Hen Egg-White Lysozyme Incubated at 34% Relative Humidity

All present enzymatic activity of Hen Egg-White Lysozyme Incubated at 34% Relative Humidity:
3.2.1.17;

The structure of Hen Egg-White Lysozyme Incubated at 34% Relative Humidity, PDB code: 9fcb 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)	21.39 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.466, 78.466, 37.154, 90, 90, 90
R / Rfree (%)	16.1 / 19

The structure of Hen Egg-White Lysozyme Incubated at 34% 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 34% Relative Humidity (pdb code 9fcb). 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 34% Relative Humidity, PDB code: 9fcb:
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 34% 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 34% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:20.8 occ:1.00 HH A:TYR23 2.3 19.4 1.0 OH A:TYR23 3.1 16.2 1.0 H12 A:EDO201 3.1 36.1 1.0 HE2 A:TYR23 3.2 16.6 1.0 O A:HOH322 3.2 23.3 1.0 HA3 A:GLY104 3.4 18.3 1.0 CZ A:TYR23 3.7 13.6 1.0 CE2 A:TYR23 3.8 13.9 1.0 HA2 A:GLY104 4.1 18.3 1.0 C1 A:EDO201 4.1 30.1 1.0 CA A:GLY104 4.2 15.2 1.0 H11 A:EDO201 4.3 36.1 1.0 O A:ARG21 4.6 20.5 0.5 O A:ARG21 4.6 20.5 0.5 HB3 A:ARG21 4.6 24.3 0.5 H21 A:EDO201 4.7 40.4 1.0 N A:GLY104 4.7 16.3 1.0 HO1 A:EDO201 4.8 25.4 1.0 HB3 A:ARG21 4.8 24.2 0.5 H A:MET105 4.9 16.1 1.0 C2 A:EDO201 4.9 33.7 1.0 H A:GLY104 4.9 19.5 1.0 CE1 A:TYR23 4.9 15.1 1.0 CD2 A:TYR23 5.0 14.5 1.0

Chlorine binding site 2 out of 4 in the Hen Egg-White Lysozyme Incubated at 34% 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 34% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:25.1 occ:1.00 H A:SER24 2.4 17.4 1.0 HG A:SER24 2.5 27.7 1.0 HD21 A:ASN27 2.6 19.5 1.0 HB3 A:SER24 3.0 23.6 1.0 OG A:SER24 3.2 23.1 1.0 ND2 A:ASN27 3.2 16.2 1.0 N A:SER24 3.3 14.6 1.0 HD22 A:ASN27 3.3 19.5 1.0 HA A:TYR23 3.5 17.5 1.0 CB A:SER24 3.5 19.7 1.0 O A:GLY22 3.7 20.2 1.0 HO2 A:EDO205 3.8 33.0 1.0 O A:HOH303 3.8 28.1 1.0 H21 A:EDO205 3.9 36.3 1.0 CA A:SER24 4.0 16.9 1.0 C A:TYR23 4.3 14.3 1.0 CA A:TYR23 4.3 14.6 1.0 HB2 A:SER24 4.4 23.6 1.0 CG A:ASN27 4.5 15.4 1.0 O2 A:EDO205 4.5 27.5 1.0 HG21 A:VAL120 4.6 28.9 1.0 C2 A:EDO205 4.6 30.3 1.0 HA A:SER24 4.7 20.3 1.0 C A:GLY22 4.7 18.7 1.0 H22 A:EDO205 4.8 36.3 1.0 OD1 A:ASN19 4.8 32.1 0.6 OD1 A:ASN27 4.9 14.8 1.0 N A:TYR23 5.0 15.3 1.0 C A:SER24 5.0 17.1 1.0

Chlorine binding site 3 out of 4 in the Hen Egg-White Lysozyme Incubated at 34% 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 34% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:46.9 occ:1.00 HH22 A:ARG14 2.3 38.5 0.6 H A:ILE88 2.7 25.1 1.0 HG12 A:ILE88 2.8 26.3 1.0 NH2 A:ARG14 3.1 32.1 0.6 HA A:ASP87 3.2 27.5 1.0 OD1 A:ASP87 3.3 57.9 1.0 NE2 A:HIS15 3.4 28.5 1.0 N A:ILE88 3.5 20.9 1.0 HH12 A:ARG14 3.5 38.5 0.6 HH21 A:ARG14 3.5 38.5 0.6 CG1 A:ILE88 3.6 21.9 1.0 HG13 A:ILE88 3.7 26.3 1.0 HB1 A:ALA11 3.8 26.5 1.0 CZ A:ARG14 4.0 29.3 0.6 CA A:ASP87 4.1 22.9 1.0 NH1 A:ARG14 4.1 32.1 0.6 H A:THR89 4.1 24.5 1.0 CD2 A:HIS15 4.2 26.8 1.0 HD2 A:HIS15 4.2 32.1 1.0 C A:ASP87 4.2 24.4 1.0 CG A:ASP87 4.2 42.7 1.0 HG23 A:ILE88 4.3 32.9 1.0 CE1 A:HIS15 4.3 28.2 1.0 CA A:ILE88 4.4 19.1 1.0 HE1 A:HIS15 4.4 33.9 1.0 HH21 A:ARG14 4.4 45.0 0.4 CB A:ILE88 4.5 20.4 1.0 HZ A:PHE3 4.5 31.2 1.0 N A:THR89 4.5 20.4 1.0 OG1 A:THR89 4.5 26.4 1.0 HD11 A:ILE88 4.6 33.5 1.0 HB2 A:ALA11 4.6 26.5 1.0 CB A:ALA11 4.6 22.1 1.0 CD1 A:ILE88 4.7 28.0 1.0 CB A:ASP87 4.7 30.4 1.0 O A:SER86 4.7 31.4 1.0 C A:ILE88 4.8 19.5 1.0 HG1 A:THR89 4.9 31.7 1.0 HH11 A:ARG14 4.9 38.5 0.6 HD13 A:ILE88 4.9 33.5 1.0 CG2 A:ILE88 4.9 27.4 1.0 HB2 A:ASP87 5.0 36.4 1.0

Chlorine binding site 4 out of 4 in the Hen Egg-White Lysozyme Incubated at 34% 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 34% Relative Humidity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:46.3 occ:1.00 O A:HOH364 2.8 53.6 1.0 HE2 A:PHE38 2.8 25.7 1.0 HZ2 A:LYS33 3.0 41.2 1.0 HD3 A:ARG5 3.2 29.3 1.0 HB2 A:ARG5 3.2 30.6 1.0 HZ3 A:LYS33 3.4 41.2 1.0 HZ3 A:TRP123 3.5 31.5 1.0 NZ A:LYS33 3.6 34.3 1.0 HD3 A:LYS33 3.6 29.1 1.0 CE2 A:PHE38 3.7 21.4 1.0 O A:HOH369 3.7 49.1 1.0 HE2 A:LYS33 3.8 39.6 1.0 CE A:LYS33 4.1 33.0 1.0 CD A:ARG5 4.1 24.4 1.0 CB A:ARG5 4.2 25.6 1.0 HZ A:PHE38 4.2 19.8 1.0 HZ1 A:LYS33 4.3 41.2 1.0 CD A:LYS33 4.3 24.3 1.0 HE A:ARG5 4.4 33.6 1.0 CZ3 A:TRP123 4.4 26.3 1.0 CZ A:PHE38 4.4 16.5 1.0 HB3 A:ARG5 4.5 30.6 1.0 HD2 A:PHE38 4.6 25.4 1.0 CG A:ARG5 4.6 26.1 1.0 CD2 A:PHE38 4.6 21.1 1.0 HG3 A:ARG5 4.7 31.4 1.0 NE A:ARG5 4.7 28.0 1.0 HD2 A:ARG5 4.7 29.3 1.0 HE3 A:TRP123 4.8 26.7 1.0 HD2 A:LYS33 4.8 29.1 1.0 H A:ARG5 4.9 26.9 1.0

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