Chlorine in PDB 6zc8: Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling

The structure of Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling, PDB code: 6zc8 was solved by Y.Roske, U.Heinemann, H.Oschkinat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.35 / 2.76
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.345, 89.345, 131.659, 90, 90, 120
R / Rfree (%)	24.4 / 28.5

The binding sites of Chlorine atom in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling (pdb code 6zc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling, PDB code: 6zc8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:42.4 occ:1.00 CL1 A:QEK401 0.0 42.4 1.0 CAZ A:QEK401 1.7 42.0 1.0 CAP A:QEK401 2.7 41.0 1.0 CBA A:QEK401 2.7 42.7 1.0 CAR A:QEK401 2.9 44.2 1.0 CBB A:QEK401 4.0 40.2 1.0 CAK A:QEK401 4.0 42.0 1.0 CE2 A:PHE259 4.3 34.5 1.0 CD2 A:PHE259 4.3 33.6 1.0 NAT A:QEK401 4.4 44.6 1.0 CAL A:QEK401 4.5 41.3 1.0 CZ A:PHE259 4.8 35.5 1.0 CG A:PHE259 4.8 33.6 1.0 OAC A:QEK401 5.0 45.7 1.0

Chlorine binding site 2 out of 2 in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:61.7 occ:1.00 CL1 B:QEK401 0.0 61.7 1.0 CAZ B:QEK401 1.7 62.5 1.0 CAP B:QEK401 2.7 61.4 1.0 CBA B:QEK401 2.7 63.9 1.0 CAR B:QEK401 3.0 64.8 1.0 CBB B:QEK401 4.0 60.5 1.0 CAK B:QEK401 4.0 63.9 1.0 CE2 B:PHE259 4.2 50.8 1.0 NAT B:QEK401 4.3 65.4 1.0 CAL B:QEK401 4.5 62.5 1.0 CD2 B:PHE259 4.5 49.3 1.0 CZ B:PHE259 4.7 51.8 1.0

Y.Roske, U.Heinemann, H.Oschkinat, N.Kamdem, D.Kovalskyy, M.O.Platonov, O.M.Balinskyi, A.Kreuchwig, J.Saupe, L.Fang, A.Diehl, P.Schmieder, G.Krause, J.Rademann, W.Birchmeier. Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling To Be Published.