Chlorine in PDB 5bxu: Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5

All present enzymatic activity of Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5:
2.4.2.30;

The structure of Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5, PDB code: 5bxu was solved by W.Xu, G.Fischer, M.Hyvonen, L.Itzhaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.90 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.086, 63.279, 72.325, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 18.6

The binding sites of Chlorine atom in the Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5 (pdb code 5bxu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5, PDB code: 5bxu:

Chlorine binding site 1 out of 1 in the Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide CP4N4M5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:21.6 occ:1.00 OG A:SER540 2.9 12.1 0.3 O A:HOH935 3.0 27.5 1.0 O A:HOH926 3.1 25.1 1.0 C A:ARG538 3.3 10.3 1.0 N A:SER540 3.4 11.6 0.7 N A:SER540 3.4 11.4 0.3 CA A:ARG538 3.4 10.1 1.0 CB A:ARG538 3.5 9.7 1.0 N A:VAL541 3.5 9.6 1.0 N A:VAL539 3.6 10.6 1.0 CB A:SER540 3.6 14.7 0.7 O A:ARG538 3.7 10.4 1.0 CB A:SER540 3.8 12.0 0.3 CG2 A:VAL541 3.8 10.4 1.0 CA A:SER540 3.9 12.5 0.7 CA A:SER540 3.9 11.4 0.3 CA A:GLY503 3.9 10.8 1.0 O A:GLY503 4.0 13.2 1.0 C A:SER540 4.2 10.9 0.3 C A:SER540 4.2 11.7 0.7 OG A:SER540 4.2 16.4 0.7 C A:VAL539 4.3 12.0 1.0 CB A:VAL541 4.3 9.1 1.0 CD A:ARG538 4.4 10.3 1.0 C A:GLY503 4.4 12.4 1.0 CG A:ARG538 4.5 10.1 1.0 CA A:VAL541 4.5 9.4 1.0 CA A:VAL539 4.5 12.4 1.0 N A:ARG538 4.8 10.3 1.0

W.Xu, Y.H.Lau, G.Fischer, A.Chattopadhyay, Y.S.Tan, C.Verma, M.Hyvonen, D.S.Spring, L.S.Itzhaki. Human Tankyrase-2 in Complex with Extended Stapled Peptide SP4N4M5 To Be Published.