Chlorine in PDB 6ht2: Structure of Hewl By Electron Diffraction and Microfocus Diffraction

All present enzymatic activity of Structure of Hewl By Electron Diffraction and Microfocus Diffraction:
3.2.1.17;

The structure of Structure of Hewl By Electron Diffraction and Microfocus Diffraction, PDB code: 6ht2 was solved by G.Garau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.33 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.700, 53.500, 71.600, 90.00, 99.00, 90.00
R / Rfree (%)	19.9 / 25.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction (pdb code 6ht2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction, PDB code: 6ht2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.4 occ:1.00 O A:TYR53 2.7 13.1 1.0 OG A:SER91 2.8 14.3 1.0 N A:LEU56 3.0 11.9 1.0 N A:ILE55 3.3 12.1 1.0 C A:GLY54 3.4 12.1 1.0 N A:GLN57 3.5 11.1 1.0 CB A:SER91 3.6 13.8 1.0 CA A:GLY54 3.6 12.2 1.0 CD1 A:ILE58 3.6 12.8 1.0 CA A:LEU56 3.7 11.8 1.0 C A:TYR53 3.7 12.6 1.0 CB A:LEU56 3.8 12.0 1.0 C A:LEU56 3.8 11.5 1.0 C A:ILE55 4.0 12.1 1.0 N A:ILE58 4.0 12.0 1.0 O A:GLY54 4.0 12.0 1.0 CG1 A:ILE58 4.0 12.8 1.0 N A:GLY54 4.1 12.2 1.0 CA A:ILE55 4.2 12.3 1.0 O A:LEU83 4.3 19.4 1.0 CB A:ILE58 4.3 12.9 1.0 CG2 A:ILE55 4.4 12.5 1.0 CB A:LEU83 4.4 16.5 1.0 CA A:SER91 4.4 13.7 1.0 CA A:GLN57 4.6 11.0 1.0 O A:LEU56 4.7 11.4 1.0 CG A:LEU56 4.8 12.0 1.0 CD2 A:LEU83 4.8 15.2 1.0 C A:GLN57 4.8 11.5 1.0 CA A:ILE58 4.8 12.9 1.0 CB A:ILE55 4.9 12.6 1.0 CG A:LEU83 5.0 15.7 1.0

Chlorine binding site 2 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:20.1 occ:1.00 OH A:TYR23 2.9 9.1 1.0 ND2 A:ASN106 3.3 11.3 1.0 CZ A:TYR23 3.8 9.1 1.0 CE1 A:TYR23 3.8 9.2 1.0 CH2 A:TRP111 3.9 12.9 1.0 CE A:LYS116 4.1 16.4 1.0 NZ A:LYS116 4.2 16.8 1.0 CG A:ASN106 4.3 11.7 1.0 CZ3 A:TRP111 4.4 13.0 1.0 OD1 A:ASN106 4.4 11.1 1.0 CZ2 A:TRP111 5.0 12.8 1.0

Chlorine binding site 3 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:30.8 occ:1.00 O A:HOH314 2.8 10.6 1.0 ND2 A:ASN74 3.2 17.7 1.0 C A:ILE78 3.3 12.3 1.0 N A:PRO79 3.5 12.2 1.0 CA A:ILE78 3.6 12.5 1.0 O A:ILE78 3.6 12.4 1.0 CD A:PRO79 3.6 12.1 1.0 N A:ILE78 3.8 12.3 1.0 C A:ASN77 4.1 12.5 1.0 O A:ASN77 4.2 12.3 1.0 CA A:PRO79 4.3 12.3 1.0 OD1 A:ASN77 4.4 13.8 1.0 CG A:ASN74 4.4 17.9 1.0 CB A:ASN65 4.6 13.8 1.0 CG A:PRO79 4.7 12.1 1.0 CB A:PRO79 4.7 12.2 1.0 OD1 A:ASN74 4.8 16.9 1.0 CA A:ASN77 4.9 13.1 1.0 ND2 A:ASN65 5.0 13.6 1.0

Chlorine binding site 4 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:28.2 occ:1.00 NE2 A:GLN121 2.4 29.8 1.0 OG A:SER24 3.0 10.9 1.0 N A:GLY26 3.0 10.4 1.0 CD A:GLN121 3.2 30.8 0.9 CB A:SER24 3.3 10.5 1.0 CA A:GLY26 3.5 10.5 1.0 CD1 A:ILE124 3.6 23.6 1.0 N A:LEU25 3.7 10.2 1.0 CG A:GLN121 3.7 28.6 1.0 CA A:GLN121 3.8 23.7 1.0 C A:SER24 3.9 10.4 1.0 N A:GLN121 4.1 22.6 1.0 C A:LEU25 4.1 10.4 1.0 CB A:GLN121 4.1 26.1 1.0 OE1 A:GLN121 4.1 33.8 1.0 CA A:SER24 4.2 10.4 1.0 CG2 A:VAL120 4.3 20.5 1.0 CA A:LEU25 4.3 10.2 1.0 C A:VAL120 4.4 21.5 1.0 O A:SER24 4.5 10.8 1.0 O A:VAL120 4.5 20.6 1.0 CG1 A:ILE124 4.6 22.8 1.0 CB A:LEU25 4.6 10.3 1.0 C A:GLY26 4.6 10.4 1.0 N A:ASN27 4.6 10.9 1.0 CG2 A:ILE124 5.0 21.9 1.0

Chlorine binding site 5 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:31.8 occ:1.00 CE A:LYS33 3.2 13.8 1.0 NZ A:LYS33 3.3 13.9 1.0 NZ B:LYS116 3.3 35.9 1.0 CE B:LYS116 3.9 34.5 1.0 CD B:LYS116 3.9 33.0 1.0 CD B:ARG112 3.9 23.4 1.0 CD A:LYS33 3.9 13.6 1.0 O B:HOH307 4.1 12.0 1.0 CZ3 A:TRP123 4.2 19.6 1.0 CH2 A:TRP123 4.3 19.4 1.0 OD1 B:ASN106 4.3 16.3 1.0 CG B:ARG112 4.5 21.9 1.0 CB B:ARG112 4.6 20.8 1.0 NE B:ARG112 4.7 24.7 1.0 CL B:CL205 4.8 34.9 1.0 CG A:LYS33 4.8 13.2 1.0

Chlorine binding site 6 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:31.8 occ:1.00 N A:ARG21 3.0 14.7 1.0 CA A:ARG21 3.6 15.3 1.0 CD A:ARG21 3.7 21.9 1.0 C A:TYR20 4.0 13.4 1.0 CA A:TYR20 4.0 12.8 1.0 CG A:ARG21 4.1 19.5 1.0 CD1 A:TYR20 4.2 12.0 1.0 CG A:TYR20 4.3 12.2 1.0 O A:ASN19 4.4 12.4 1.0 CB A:ARG21 4.5 17.3 1.0 CE1 A:TYR20 4.5 11.9 1.0 CD2 A:TYR20 4.6 12.4 1.0 CB A:TYR20 4.8 12.5 1.0 CZ A:TYR20 4.8 11.9 1.0 C A:ARG21 4.8 13.9 1.0 CE2 A:TYR20 4.9 12.3 1.0 N A:GLY22 5.0 12.7 1.0

Chlorine binding site 7 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:34.1 occ:1.00 NH2 A:ARG68 2.8 16.6 1.0 NH1 A:ARG45 3.0 33.1 1.0 CZ A:ARG45 3.3 33.1 1.0 NE A:ARG68 3.4 16.9 1.0 OG1 A:THR51 3.5 17.8 1.0 CZ A:ARG68 3.5 16.7 1.0 OH A:TYR53 3.7 13.0 1.0 NE A:ARG45 3.8 32.7 1.0 NH2 A:ARG45 3.9 31.9 1.0 CD A:ARG45 4.1 33.5 1.0 CG2 A:THR51 4.2 16.3 1.0 CB A:THR51 4.2 16.3 1.0 CZ A:TYR53 4.6 12.7 1.0 CD A:ARG68 4.6 17.6 1.0 OD2 A:ASP66 4.7 16.4 1.0 NH1 A:ARG68 4.9 16.4 1.0

Chlorine binding site 8 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:33.2 occ:1.00 ND2 B:ASN113 3.3 18.3 1.0 CG A:ARG125 3.4 33.2 1.0 CA B:ALA110 3.8 18.6 1.0 NE A:ARG125 3.8 33.0 1.0 CB B:ASN113 4.0 19.0 1.0 O A:ARG125 4.0 35.6 1.0 CD A:ARG125 4.0 33.6 1.0 CG B:ASN113 4.1 18.5 1.0 N B:ALA110 4.1 18.4 1.0 CB A:ARG125 4.2 32.2 1.0 CB B:ALA110 4.2 18.4 1.0 CG2 B:VAL109 4.2 18.3 1.0 O B:VAL109 4.4 18.4 1.0 C B:VAL109 4.4 18.3 1.0 C A:ARG125 4.6 33.1 1.0 O A:ALA122 4.9 22.8 1.0

Chlorine binding site 9 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:47.9 occ:1.00 C A:GLY71 3.2 36.6 1.0 O A:GLY71 3.3 39.4 1.0 CA A:GLY71 3.4 35.4 1.0 CA A:SER72 3.5 38.3 1.0 N A:SER72 3.5 38.0 1.0 O A:ARG61 3.6 31.5 1.0 CZ3 A:TRP62 3.6 36.9 1.0 N A:ARG73 3.7 32.7 1.0 C A:SER72 3.8 35.0 1.0 NE A:ARG73 3.9 40.7 1.0 CG A:ARG73 4.0 34.8 1.0 CE3 A:TRP62 4.0 36.3 1.0 CG A:ARG61 4.1 36.0 1.0 CH2 A:TRP62 4.3 36.8 1.0 CD A:ARG73 4.4 37.5 1.0 O A:HOH329 4.4 15.5 1.0 C A:ARG61 4.5 28.3 1.0 O A:SER72 4.6 32.6 1.0 CB A:ARG73 4.7 31.9 1.0 CA A:ARG73 4.8 29.9 1.0 CB A:SER72 4.8 42.0 1.0 N A:GLY71 4.9 32.5 1.0 CD A:ARG61 4.9 41.5 1.0 CD2 A:TRP62 4.9 33.8 1.0 CZ A:ARG73 4.9 42.7 1.0 NH1 A:ARG73 5.0 42.5 1.0

Chlorine binding site 10 out of 19 in the Structure of Hewl By Electron Diffraction and Microfocus Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Hewl By Electron Diffraction and Microfocus Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:30.3 occ:1.00 O A:PRO70 2.5 30.5 1.0 C A:PRO70 3.4 29.9 1.0 CA A:PRO70 3.7 26.4 1.0 O A:GLY71 4.2 39.4 1.0 CB A:PRO70 4.3 25.9 1.0 C A:GLY71 4.4 36.6 1.0 N A:SER72 4.6 38.0 1.0 N A:GLY71 4.6 32.5 1.0 O A:HOH329 4.9 15.5 1.0

A.Lanza, E.Margheritis, E.Mugnaioli, V.Cappello, G.Garau, M.Gemmi. Nanobeam Precession-Assisted 3D Electron Diffraction Reveals A New Polymorph of Hen Egg-White Lysozyme. Iucrj V. 6 178 2019.
ISSN: ESSN 2052-2525
PubMed: 30867915
DOI: 10.1107/S2052252518017657