Chlorine in PDB 4owe: PTCL6 Binding to Hewl

All present enzymatic activity of PTCL6 Binding to Hewl:
3.2.1.17;

The structure of PTCL6 Binding to Hewl, PDB code: 4owe was solved by S.W.M.Tanley, V.L.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.68 / 1.41
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.748, 78.748, 37.160, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.3

The structure of PTCL6 Binding to Hewl also contains other interesting chemical elements:

Platinum	(Pt)	2 atoms
Sodium	(Na)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the PTCL6 Binding to Hewl (pdb code 4owe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the PTCL6 Binding to Hewl, PDB code: 4owe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:24.2 occ:0.36 PT A:PT218 2.3 17.3 0.4 O A:HOH393 3.0 28.9 1.0 CL A:CL206 3.1 20.8 0.4 CL A:CL202 3.3 21.6 0.4 CL A:CL203 3.3 19.5 0.4 CL A:CL205 3.4 11.5 0.4 ND2 A:ASN65 3.4 21.7 1.0 CB A:PRO79 3.9 18.3 1.0 N A:PRO79 3.9 18.4 1.0 CA A:PRO79 3.9 17.6 1.0 CB A:ASN65 3.9 16.7 1.0 CG A:ASN65 4.2 17.3 1.0 CD A:PRO79 4.2 20.6 1.0 C A:ILE78 4.5 17.2 1.0 CG A:PRO79 4.6 19.2 1.0 O A:ASN65 4.6 15.6 1.0 CL A:CL204 4.6 24.6 0.4 ND2 A:ASN74 4.7 19.4 1.0 O A:ILE78 4.7 17.7 1.0

Chlorine binding site 2 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:21.6 occ:0.36 PT A:PT218 2.2 17.3 0.4 CL A:CL204 3.2 24.6 0.4 CL A:CL205 3.3 11.5 0.4 CL A:CL201 3.3 24.2 0.4 CL A:CL203 3.4 19.5 0.4 CL A:CL206 4.5 20.8 0.4 O A:HOH393 4.6 28.9 1.0

Chlorine binding site 3 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:19.5 occ:0.36 PT A:PT218 2.4 17.3 0.4 CL A:CL204 3.3 24.6 0.4 CL A:CL206 3.3 20.8 0.4 CL A:CL201 3.3 24.2 0.4 CL A:CL202 3.4 21.6 0.4 CB A:PRO79 3.7 18.3 1.0 CG A:PRO79 3.8 19.2 1.0 CD A:PRO79 4.3 20.6 1.0 CA A:PRO79 4.8 17.6 1.0 CL A:CL205 4.8 11.5 0.4 N A:PRO79 4.9 18.4 1.0

Chlorine binding site 4 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:24.6 occ:0.36 PT A:PT218 2.3 17.3 0.4 CL A:CL202 3.2 21.6 0.4 CL A:CL206 3.2 20.8 0.4 CL A:CL203 3.3 19.5 0.4 CL A:CL205 3.4 11.5 0.4 CL A:CL201 4.6 24.2 0.4

Chlorine binding site 5 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:11.5 occ:0.36 PT A:PT218 2.5 17.3 0.4 CL A:CL206 3.3 20.8 0.4 CL A:CL202 3.3 21.6 0.4 CL A:CL204 3.4 24.6 0.4 CL A:CL201 3.4 24.2 0.4 O A:HOH346 3.4 18.6 1.0 ND2 A:ASN65 3.5 21.7 1.0 CG A:ASN65 4.6 17.3 1.0 CL A:CL203 4.8 19.5 0.4 O A:HOH365 4.9 33.3 1.0

Chlorine binding site 6 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:20.8 occ:0.36 PT A:PT218 2.3 17.3 0.4 CL A:CL201 3.1 24.2 0.4 CL A:CL204 3.2 24.6 0.4 CL A:CL205 3.3 11.5 0.4 CL A:CL203 3.3 19.5 0.4 O A:HOH346 3.5 18.6 1.0 ND2 A:ASN65 3.6 21.7 1.0 CB A:PRO79 4.3 18.3 1.0 CL A:CL202 4.5 21.6 0.4 O A:ASN65 4.8 15.6 1.0 CG A:ASN65 4.8 17.3 1.0

Chlorine binding site 7 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:29.8 occ:0.22 PT A:PT219 2.4 19.5 0.2 NE A:ARG14 3.2 33.4 1.0 O A:ALA10 3.3 19.5 1.0 CL A:CL209 3.4 21.5 0.2 CB A:ARG14 3.4 27.9 1.0 CL A:CL208 3.4 30.4 0.2 CD A:ARG14 3.5 31.0 1.0 CA A:ALA11 3.6 19.3 1.0 O A:HOH306 3.7 26.2 1.0 C A:ALA10 3.7 19.2 1.0 N A:ALA11 3.8 19.2 1.0 CG A:ARG14 4.1 32.1 1.0 CZ A:ARG14 4.4 33.1 1.0 CB A:ALA11 4.4 19.9 1.0 CB A:ALA10 4.5 21.0 1.0 C A:ALA11 4.6 18.7 1.0 CA A:ARG14 4.7 23.2 1.0 NH2 A:ARG14 4.7 31.8 1.0 CA A:ALA10 4.7 20.3 1.0 O A:ALA11 4.7 20.2 1.0 N A:ARG14 4.8 21.8 1.0

Chlorine binding site 8 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:30.4 occ:0.22 PT A:PT219 2.4 19.5 0.2 CL A:CL213 2.7 29.3 0.9 CL A:CL207 3.4 29.8 0.2 CL A:CL209 3.4 21.5 0.2 NH2 A:ARG14 3.6 31.8 1.0 CL A:CL214 3.8 21.8 0.5 NE A:ARG14 4.0 33.4 1.0 CB A:ALA11 4.2 19.9 1.0 CZ A:ARG14 4.3 33.1 1.0 CA A:ALA11 4.6 19.3 1.0 O A:HOH392 4.9 29.1 1.0 NE2 A:HIS15 5.0 27.2 1.0

Chlorine binding site 9 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:21.5 occ:0.22 PT A:PT219 2.4 19.5 0.2 CL A:CL207 3.4 29.8 0.2 CL A:CL208 3.4 30.4 0.2 NE A:ARG14 3.5 33.4 1.0 CD A:ARG14 4.0 31.0 1.0 CZ A:ARG14 4.1 33.1 1.0 NH2 A:ARG14 4.2 31.8 1.0

Chlorine binding site 10 out of 17 in the PTCL6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of PTCL6 Binding to Hewl within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:19.4 occ:0.89 OH A:TYR23 3.0 17.3 1.0 O A:HOH329 3.2 20.2 1.0 CZ A:TYR23 3.7 16.3 1.0 CE2 A:TYR23 3.7 14.3 1.0 CA A:GLY104 4.1 17.7 1.0 O A:ARG21 4.6 18.9 1.0 N A:GLY104 4.7 16.3 1.0 CE1 A:TYR23 4.9 14.7 1.0 CD2 A:TYR23 4.9 15.0 1.0

S.W.Tanley, L.V.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell. The Binding of Platinum Hexahalides (Cl, Br and I) to Hen Egg-White Lysozyme and the Chemical Transformation of the PTI6 Octahedral Complex to A PTI3 Moiety Bound to HIS15. Acta Crystallogr.,Sect.F V. 70 1132 2014.
ISSN: ESSN 2053-230X
PubMed: 25195880
DOI: 10.1107/S2053230X14014009