Chlorine in PDB 3qe8: Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+

All present enzymatic activity of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+:
3.2.1.17;

The structure of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+, PDB code: 3qe8 was solved by F.Zobi, B.Spingler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.87 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.896, 77.996, 80.081, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.9

The structure of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ also contains other interesting chemical elements:

Rhenium

(Re)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ (pdb code 3qe8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+, PDB code: 3qe8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl200 b:39.0 occ:1.00 O B:ARG73 1.6 64.1 1.0 C B:ARG73 1.7 35.1 1.0 CL B:CL201 2.3 24.6 1.0 N B:ASN74 2.4 17.4 1.0 CA B:ARG73 2.7 20.5 1.0 N B:ARG73 2.8 18.5 1.0 CA B:ASN74 2.9 16.1 1.0 O B:SER60 3.3 16.2 1.0 O B:CYS64 3.3 13.8 1.0 O B:TRP62 3.3 17.5 1.0 O B:HOH319 3.4 20.4 1.0 C B:TRP62 3.4 18.6 1.0 CB B:ARG73 3.6 17.8 1.0 C B:SER72 3.6 23.3 1.0 CB B:ASN74 3.7 15.4 1.0 N B:TRP63 3.8 14.9 1.0 CA B:TRP62 3.8 14.6 1.0 O B:ARG61 3.8 19.5 1.0 OG B:SER72 3.9 20.5 1.0 N B:TRP62 3.9 16.1 1.0 N B:CYS64 3.9 11.9 1.0 CB B:SER72 4.0 15.2 1.0 C B:CYS64 4.0 12.9 1.0 C B:ARG61 4.0 22.4 1.0 C B:SER60 4.1 14.8 1.0 O B:SER72 4.2 26.9 1.0 C B:ASN74 4.2 14.1 1.0 CA B:SER72 4.4 20.5 1.0 C B:TRP63 4.4 11.2 1.0 N B:LEU75 4.4 14.4 1.0 CA B:CYS64 4.5 16.9 1.0 CA B:TRP63 4.5 14.7 1.0 O B:HOH318 4.7 15.2 1.0 CG B:ASN74 4.8 16.7 1.0 N B:ASN65 4.8 15.7 1.0 CA B:ARG61 4.9 18.0 1.0 N B:ARG61 4.9 14.7 1.0 CG B:ARG73 4.9 27.0 1.0 CA B:SER60 5.0 14.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:24.6 occ:1.00 O B:SER60 2.2 16.2 1.0 CL B:CL200 2.3 39.0 1.0 O B:CYS64 2.4 13.8 1.0 O B:HOH318 2.4 15.2 1.0 O B:HOH319 2.4 20.4 1.0 O B:ARG73 2.5 64.1 1.0 OG B:SER72 2.6 20.5 1.0 CB B:SER72 3.2 15.2 1.0 C B:SER60 3.3 14.8 1.0 C B:CYS64 3.4 12.9 1.0 C B:ARG73 3.5 35.1 1.0 N B:ARG73 4.0 18.5 1.0 CA B:SER60 4.0 14.0 1.0 CA B:ASN65 4.0 14.1 1.0 C B:SER72 4.1 23.3 1.0 N B:ASN65 4.2 15.7 1.0 CB B:SER60 4.2 13.6 1.0 CA B:SER72 4.3 20.5 1.0 N B:ASN74 4.3 17.4 1.0 N B:ARG61 4.4 14.7 1.0 CA B:ARG73 4.4 20.5 1.0 N B:CYS64 4.4 11.9 1.0 C B:ARG61 4.5 22.4 1.0 O B:ARG61 4.6 19.5 1.0 CA B:CYS64 4.6 16.9 1.0 CA B:ASN74 4.6 16.1 1.0 CB B:THR69 4.6 16.0 1.0 CA B:ARG61 4.6 18.0 1.0 O B:SER72 4.6 26.9 1.0 N B:ASP66 4.6 13.1 1.0 O B:HOH331 4.7 12.1 1.0 OD1 B:ASN65 4.7 18.5 1.0 CB B:ASN74 4.8 15.4 1.0 N B:TRP62 4.8 16.1 1.0 C B:ASN65 4.9 11.6 1.0 O B:THR69 4.9 17.3 1.0 CB B:ASN65 5.0 13.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Lysozyme-Bound Fac-[Re(Co)3(H2O)(Im)]+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:20.2 occ:1.00 OH B:TYR23 3.0 16.1 1.0 CZ B:TYR23 3.8 14.9 1.0 CE2 B:TYR23 3.8 14.2 1.0 CA B:GLY104 4.1 14.9 1.0 O B:ARG21 4.7 16.2 1.0 N B:GLY104 4.7 13.7 1.0 CE1 B:TYR23 5.0 14.8 1.0 CD2 B:TYR23 5.0 10.1 1.0

F.Zobi, B.Spingler. Post-Protein-Binding Reactivity and Modifications of the Fac-[Re(Co)3]+ Core Inorg.Chem. V. 51 1210 2012.
ISSN: ISSN 0020-1669
PubMed: 22229733
DOI: 10.1021/IC2023314