Chlorine in PDB 2xjw: Lysozyme-Co Releasing Molecule Adduct

All present enzymatic activity of Lysozyme-Co Releasing Molecule Adduct:
3.2.1.17;

The structure of Lysozyme-Co Releasing Molecule Adduct, PDB code: 2xjw was solved by T.Santos-Silva, A.Mukhopadhyay, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.76 / 1.67
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.400, 78.400, 36.970, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.8

The structure of Lysozyme-Co Releasing Molecule Adduct also contains other interesting chemical elements:

Ruthenium	(Ru)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Lysozyme-Co Releasing Molecule Adduct (pdb code 2xjw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Lysozyme-Co Releasing Molecule Adduct, PDB code: 2xjw:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1138 b:24.1 occ:0.50 OH A:TYR23 3.0 17.1 1.0 O A:HOH2032 3.6 22.8 1.0 CZ A:TYR23 3.7 14.6 1.0 CE2 A:TYR23 3.7 13.5 1.0 CA A:GLY104 4.1 16.8 1.0 N A:GLY104 4.7 18.3 1.0 O A:ARG21 4.7 19.4 1.0 O A:HOH2119 4.8 42.6 1.0 CE1 A:TYR23 4.9 13.6 1.0 CD2 A:TYR23 5.0 14.8 1.0

Chlorine binding site 2 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1139 b:46.4 occ:1.00 O A:HOH2005 3.5 42.8 1.0 CE2 A:PHE38 3.6 15.5 1.0 NZ A:LYS33 3.9 31.1 1.0 CZ3 A:TRP123 4.0 24.6 1.0 CD A:ARG5 4.1 23.1 1.0 CB A:ARG5 4.1 23.4 1.0 CD A:LYS33 4.3 18.3 1.0 CE A:LYS33 4.3 24.6 1.0 CZ A:PHE38 4.4 17.3 1.0 CD2 A:PHE38 4.6 15.7 1.0 CG A:ARG5 4.6 21.7 1.0 NE A:ARG5 4.7 26.4 1.0 CE3 A:TRP123 4.8 18.3 1.0 CH2 A:TRP123 4.9 22.2 1.0

Chlorine binding site 3 out of 3 in the Lysozyme-Co Releasing Molecule Adduct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme-Co Releasing Molecule Adduct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1140 b:26.0 occ:0.50 ND2 A:ASN113 3.4 16.9 1.0 CB A:ASN113 3.7 17.0 1.0 CA A:ALA110 3.8 17.2 1.0 CG1 A:VAL109 4.0 17.4 0.5 CG A:ASN113 4.1 17.9 1.0 O A:VAL109 4.2 20.1 1.0 N A:ALA110 4.2 17.4 1.0 CD A:ARG114 4.3 16.8 1.0 CB A:ALA110 4.3 18.4 1.0 C A:VAL109 4.4 18.6 1.0 CG A:ARG114 4.4 16.8 1.0 O A:HOH2018 4.6 34.2 1.0 CG2 A:VAL109 4.8 19.4 0.5 C A:ALA110 4.9 16.6 1.0 O A:ALA110 4.9 17.2 1.0 CG1 A:VAL109 4.9 19.3 0.5 CA A:ASN113 5.0 17.6 1.0

T.Santos-Silva, A.Mukhopadhyay, J.D.Seixas, G.J.Bernardes, C.C.Romao, M.J.Romao. Corm-3 Reactivity Toward Proteins: the Crystal Structure of A Ru(II) Dicarbonyl-Lysozyme Complex. J.Am.Chem.Soc. V. 133 1192 2011.
ISSN: ISSN 0002-7863
PubMed: 21204537
DOI: 10.1021/JA108820S