Chlorine in PDB 4q9x: Mtfp* PDCL2 Soak

The structure of Mtfp* PDCL2 Soak, PDB code: 4q9x was solved by J.Fischer, F.Quitterer, M.Groll, J.Eppinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.470, 83.630, 37.820, 90.00, 112.01, 90.00
R / Rfree (%)	17.6 / 21.7

The structure of Mtfp* PDCL2 Soak also contains other interesting chemical elements:

Palladium

(Pd)

8 atoms

The binding sites of Chlorine atom in the Mtfp* PDCL2 Soak (pdb code 4q9x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Mtfp* PDCL2 Soak, PDB code: 4q9x:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Mtfp* PDCL2 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mtfp* PDCL2 Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl909 b:57.7 occ:1.00 CE A:LYS160 2.6 62.2 1.0 NZ A:LYS160 2.7 66.1 1.0 CD A:LYS160 3.4 58.0 1.0 CE2 A:TYR168 4.7 59.8 1.0 CG A:LYS160 4.8 51.5 1.0 OD2 A:ASP140 4.9 61.0 1.0 CD2 A:TYR168 4.9 56.0 1.0

Chlorine binding site 2 out of 5 in the Mtfp* PDCL2 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mtfp* PDCL2 Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl910 b:74.6 occ:1.00 OG1 A:THR92 3.3 35.1 1.0 O A:LYS174 3.7 30.3 1.0 N A:THR92 3.7 30.7 1.0 O A:GLU90 3.9 30.9 1.0 CG A:GLU90 3.9 42.4 1.0 OE1 A:GLU90 4.0 52.2 1.0 C A:ARG91 4.0 29.8 1.0 CA A:ARG91 4.1 30.1 1.0 CD1 A:ILE176 4.1 39.6 1.0 C A:GLU90 4.1 32.0 1.0 N A:ARG91 4.1 30.5 1.0 CB A:THR92 4.2 33.3 1.0 CD A:GLU90 4.4 48.5 1.0 CG1 A:ILE176 4.5 38.5 1.0 CA A:THR92 4.6 30.9 1.0 C A:LYS174 4.6 32.6 1.0 O A:ARG91 4.7 29.5 1.0 CB A:GLU90 4.8 37.3 1.0 CB A:LYS174 4.9 38.2 1.0

Chlorine binding site 3 out of 5 in the Mtfp* PDCL2 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mtfp* PDCL2 Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl911 b:61.2 occ:1.00 NZ A:LYS9 2.9 55.2 1.0 OD2 A:ASP112 3.0 61.2 1.0 OD1 A:ASP112 3.2 56.5 1.0 CE A:LYS9 3.2 53.0 1.0 CG A:ASP112 3.5 58.7 1.0 CD A:LYS9 4.7 50.3 1.0 CB A:ASP112 4.9 58.2 1.0

Chlorine binding site 4 out of 5 in the Mtfp* PDCL2 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mtfp* PDCL2 Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl908 b:58.0 occ:1.00 PD A:PD902 2.6 56.3 1.0 OD2 A:ASP7 2.8 48.0 1.0 O A:HOH1050 3.1 52.9 1.0 CD A:LYS32 3.7 51.2 1.0 O A:HOH1052 3.9 49.6 1.0 CG A:ASP7 4.0 47.5 1.0 CG A:LYS32 4.1 47.2 1.0 CE A:LYS32 4.5 53.8 1.0 OD1 A:ASP7 4.6 49.5 1.0 NZ A:LYS32 4.6 52.7 1.0

Chlorine binding site 5 out of 5 in the Mtfp* PDCL2 Soak


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mtfp* PDCL2 Soak within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl913 b:63.2 occ:1.00 O A:HOH1062 3.1 57.3 1.0 CB A:ASN217 4.6 69.7 1.0

J.Fischer, F.Quitterer, M.Groll, J.Eppinger. Mtfp*: An Imperishable and Versatile Protein Host For Anchoring Diverse Ligands and Organocatalysts To Be Published.