Bromine in PDB 6zc6: 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: 6zc6 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)	32.04 / 1.58
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.608, 78.608, 77.818, 90, 90, 90
R / Rfree (%)	17 / 19.8

The binding sites of Bromine atom in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling (pdb code 6zc6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Small-Molecule Inhibitors of the Pdz Domain of Dishevelled Proteins Interrupt Wnt Signalling, PDB code: 6zc6:
Jump to Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br401 b:27.8 occ:1.00 BR1 A:QEN401 0.0 27.8 1.0 CAR A:QEN401 1.9 20.9 1.0 CAN A:QEN401 2.8 18.7 1.0 CAH A:QEN401 2.9 20.4 1.0 CD1 A:LEU319 3.7 21.9 1.0 O A:HOH550 3.7 25.4 1.0 O A:ILE262 3.7 18.4 1.0 C2 A:EDO404 3.9 47.1 1.0 CG1 A:ILE264 4.0 22.9 1.0 CAU A:QEN401 4.2 17.5 1.0 CAI A:QEN401 4.2 19.4 1.0 CG2 A:VAL316 4.2 24.2 1.0 C1 A:EDO404 4.3 47.1 1.0 N A:ILE264 4.4 20.2 1.0 CA A:SER263 4.4 19.6 1.0 O2 A:EDO404 4.4 46.7 1.0 CG1 A:VAL316 4.4 24.9 1.0 CA A:VAL316 4.4 22.8 1.0 CD1 A:ILE264 4.5 24.3 1.0 CG2 A:ILE264 4.5 21.4 1.0 CB A:LEU319 4.5 20.5 1.0 C A:ILE262 4.5 16.9 1.0 CB A:VAL316 4.6 24.1 1.0 C A:SER263 4.7 19.4 1.0 CAT A:QEN401 4.7 19.0 1.0 CG1 A:ILE262 4.7 15.9 1.0 CG A:LEU319 4.7 21.1 1.0 CB A:ILE264 4.8 21.8 1.0 O1 A:EDO404 4.9 48.9 1.0 N A:SER263 4.9 17.9 1.0 O A:VAL316 5.0 23.4 1.0

Bromine 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 Bromine with other atoms in the Br 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 A:Br402 b:22.5 occ:1.00 BR1 A:QEN402 0.0 22.5 1.0 CAR A:QEN402 1.9 16.1 1.0 CAN A:QEN402 2.9 14.8 1.0 CAH A:QEN402 2.9 15.4 1.0 CAU A:QEN402 4.2 14.6 1.0 CAI A:QEN402 4.2 14.8 1.0 O A:HOH525 4.3 14.8 1.0 O A:HOH533 4.7 14.6 1.0 CAT A:QEN402 4.7 14.4 1.0 O A:HOH600 4.8 47.3 0.2

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.