Chlorine in PDB 3ww6: Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S

All present enzymatic activity of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S:
3.2.1.17;

The structure of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S, PDB code: 3ww6 was solved by Y.Abe, M.Kubota, Y.Ito, T.Imoto, T.Ueda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.75 / 1.53
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.006, 77.006, 37.185, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.5

The binding sites of Chlorine atom in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S (pdb code 3ww6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S, PDB code: 3ww6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:16.9 occ:1.00 O A:HOH326 3.1 21.0 1.0 O A:HOH333 3.2 11.5 1.0 O A:THR69 3.2 14.9 1.0 N A:THR69 3.2 12.1 1.0 O A:HOH357 3.3 22.6 1.0 OG A:SER72 3.5 16.5 1.0 N A:ARG68 3.5 12.1 1.0 C A:GLY67 3.5 14.6 1.0 O A:HOH351 3.6 26.1 1.0 CA A:GLY67 3.6 10.6 1.0 N A:GLY67 3.7 12.9 1.0 C A:THR69 3.7 13.1 1.0 OD1 A:ASN65 3.8 13.3 1.0 CA A:THR69 3.9 14.2 1.0 O A:HOH364 4.0 16.6 1.0 O A:GLY67 4.1 17.2 1.0 CB A:THR69 4.2 12.4 1.0 C A:ARG68 4.2 14.7 1.0 OD1 A:ASP66 4.3 13.1 1.0 CA A:ARG68 4.3 12.4 1.0 O A:HOH398 4.5 24.9 1.0 N A:PRO70 4.6 15.7 1.0 O A:HOH361 4.6 8.7 1.0 CB A:SER72 4.8 18.4 1.0 C A:ASP66 4.8 12.1 1.0 OG1 A:THR69 4.8 12.1 1.0 N A:ASP66 4.9 10.4 1.0 CG A:ASN65 5.0 13.4 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:31.7 occ:1.00 ND2 A:ASN65 3.1 15.4 1.0 CB A:PRO79 3.5 11.9 1.0 CA A:PRO79 3.7 12.7 1.0 CB A:ASN65 3.8 11.1 1.0 CG A:ASN65 4.0 13.4 1.0 N A:PRO79 4.0 11.7 1.0 CG A:PRO79 4.1 17.0 1.0 CD A:PRO79 4.2 13.2 1.0 O A:ASN65 4.2 10.9 1.0 C A:ILE78 4.6 12.8 1.0 O A:ILE78 4.8 12.4 1.0 C A:ASN65 4.9 9.6 1.0 CA A:ASN65 4.9 10.8 1.0 ND2 A:ASN74 5.0 14.5 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.1 occ:1.00 OH A:TYR23 3.0 10.7 1.0 O A:HOH363 3.3 13.6 1.0 CZ A:TYR23 3.7 10.4 1.0 CE2 A:TYR23 3.7 9.3 1.0 CA A:GLY104 4.1 9.8 1.0 O A:ARG21 4.5 14.3 1.0 N A:GLY104 4.7 9.6 1.0 CE1 A:TYR23 4.9 9.0 1.0 CD2 A:TYR23 4.9 9.4 1.0 NH1 A:ARG21 4.9 38.5 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:19.4 occ:1.00 OG A:SER24 3.1 13.9 1.0 N A:GLY26 3.1 10.2 1.0 CA A:GLY26 3.5 11.2 1.0 CB A:SER24 3.5 13.5 1.0 CA A:GLN121 3.7 15.6 1.0 CD1 A:ILE124 4.0 20.1 1.0 N A:GLN121 4.0 13.2 1.0 CB A:GLN121 4.1 20.2 1.0 N A:LEU25 4.2 12.0 1.0 CG2 A:VAL120 4.3 13.3 1.0 C A:LEU25 4.3 11.4 1.0 C A:SER24 4.3 11.1 1.0 O A:VAL120 4.4 13.4 1.0 C A:VAL120 4.4 12.2 1.0 CG1 A:ILE124 4.5 14.5 1.0 CA A:SER24 4.6 10.5 1.0 C A:GLY26 4.6 10.4 1.0 CA A:LEU25 4.7 11.8 1.0 N A:ASN27 4.7 8.9 1.0 O A:SER24 4.8 11.0 1.0 CG A:GLN121 4.8 33.5 1.0 C A:GLN121 4.9 13.8 1.0 CB A:LEU25 5.0 11.3 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Hen Egg White Lysozyme Mutant N46D/D52S within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:23.8 occ:1.00 O A:HOH388 3.4 29.9 1.0 O A:HOH410 3.4 32.1 1.0 NZ A:LYS33 3.6 20.9 1.0 CE2 A:PHE38 3.7 11.1 1.0 CZ3 A:TRP123 4.0 14.9 1.0 CE A:LYS33 4.1 18.5 1.0 CD A:ARG5 4.2 14.8 1.0 CD A:LYS33 4.2 12.4 1.0 CB A:ARG5 4.4 14.8 1.0 CZ A:PHE38 4.4 10.8 1.0 CD2 A:PHE38 4.6 11.6 1.0 NE A:ARG5 4.6 16.2 1.0 CG A:ARG5 4.7 14.2 1.0 CE3 A:TRP123 4.8 14.5 1.0 CH2 A:TRP123 5.0 14.3 1.0

Y.Abe, M.Kubota, S.Takazaki, Y.Ito, H.Yamamoto, D.Kang, T.Ueda, T.Imoto. Effect on Catalysis By Replacement of Catalytic Residue From Hen Egg White Lysozyme to Venerupis Philippinarum Lysozyme Protein Sci. 2016.
ISSN: ESSN 1469-896X
PubMed: 27291073
DOI: 10.1002/PRO.2966