Bromine in PDB 1t84: Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor

The binding sites of Bromine atom in the Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor (pdb code 1t84). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor, PDB code: 1t84:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br108 b:20.0 occ:1.00 BR1 A:WSK108 0.0 20.0 1.0 C10 A:WSK108 1.9 20.0 1.0 HB2 A:TYR50 2.6 0.0 1.0 HA A:TYR50 2.6 0.0 1.0 HD12 A:ILE53 2.7 0.0 1.0 C11 A:WSK108 2.9 20.0 1.0 H6 A:WSK108 3.0 20.0 1.0 C9 A:WSK108 3.0 20.0 1.0 H5 A:WSK108 3.1 20.0 1.0 HZ A:PHE17 3.1 0.0 1.0 CZ A:PHE17 3.2 0.0 1.0 HD1 A:TRP11 3.3 0.0 1.0 CE2 A:PHE17 3.4 0.0 1.0 CB A:TYR50 3.4 0.0 1.0 CA A:TYR50 3.4 0.0 1.0 HE2 A:PHE17 3.5 0.0 1.0 HG13 A:ILE53 3.5 0.0 1.0 CD1 A:TRP11 3.6 0.0 1.0 HB2 A:TRP11 3.6 0.0 1.0 O A:SER46 3.7 0.0 1.0 CD1 A:ILE53 3.7 0.0 1.0 HB3 A:TYR50 3.7 0.0 1.0 CE1 A:PHE17 3.8 0.0 1.0 CG A:TRP11 3.9 0.0 1.0 N A:TYR50 3.9 0.0 1.0 HB A:ILE53 3.9 0.0 1.0 CG1 A:ILE53 4.0 0.0 1.0 CD2 A:PHE17 4.1 0.0 1.0 HD13 A:ILE53 4.1 0.0 1.0 CB A:TRP11 4.2 0.0 1.0 H A:TYR50 4.2 0.0 1.0 HE1 A:PHE17 4.2 0.0 1.0 NE1 A:TRP11 4.2 0.0 1.0 HB3 A:TRP11 4.2 0.0 1.0 C6 A:WSK108 4.2 20.0 1.0 C8 A:WSK108 4.3 20.0 1.0 HD2 A:TYR50 4.3 0.0 1.0 HD11 A:ILE53 4.4 0.0 1.0 CD1 A:PHE17 4.5 0.0 1.0 HE1 A:TRP11 4.5 0.0 1.0 HB A:ILE49 4.6 0.0 1.0 CB A:ILE53 4.6 0.0 1.0 CG A:PHE17 4.6 0.0 1.0 C A:ILE49 4.6 0.0 1.0 CG A:TYR50 4.6 0.0 1.0 C A:TYR50 4.6 0.0 1.0 HD2 A:PHE17 4.7 0.0 1.0 CD2 A:TRP11 4.7 0.0 1.0 HZ A:PHE30 4.8 0.0 1.0 C7 A:WSK108 4.8 20.0 1.0 O A:ILE49 4.9 0.0 1.0 C A:SER46 4.9 0.0 1.0 H A:ILE53 4.9 0.0 1.0 O A:TYR50 4.9 0.0 1.0 CE2 A:TRP11 4.9 0.0 1.0 CD2 A:TYR50 5.0 0.0 1.0

Bromine binding site 2 out of 2 in the Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Solution Structure of the Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed with (S)- Wiskostatin, A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br108 b:20.0 occ:1.00 BR2 A:WSK108 0.0 20.0 1.0 C0 A:WSK108 1.9 20.0 1.0 HD21 A:LEU59 2.7 0.0 1.0 HD23 A:LEU59 2.8 0.0 1.0 HA3 A:GLY10 2.8 0.0 1.0 C5 A:WSK108 2.9 20.0 1.0 HD12 A:LEU59 2.9 0.0 1.0 C1 A:WSK108 2.9 20.0 1.0 H1 A:WSK108 3.0 20.0 1.0 H3 A:WSK108 3.0 20.0 1.0 CD2 A:LEU59 3.2 0.0 1.0 HB3 A:LEU59 3.6 0.0 1.0 CD1 A:LEU59 3.8 0.0 1.0 CA A:GLY10 3.9 0.0 1.0 CG A:LEU59 3.9 0.0 1.0 HD22 A:LEU59 4.1 0.0 1.0 C4 A:WSK108 4.3 20.0 1.0 C2 A:WSK108 4.3 20.0 1.0 CB A:LEU59 4.3 0.0 1.0 HA2 A:GLY10 4.3 0.0 1.0 HD13 A:LEU59 4.3 0.0 1.0 H A:GLY10 4.5 0.0 1.0 H A:GLU60 4.5 0.0 1.0 HD11 A:LEU59 4.6 0.0 1.0 N A:GLY10 4.6 0.0 1.0 HG2 A:GLU60 4.6 0.0 1.0 HB3 A:GLU60 4.6 0.0 1.0 HB2 A:LEU59 4.7 0.0 1.0 C A:GLY10 4.7 0.0 1.0 C3 A:WSK108 4.8 20.0 1.0 HG A:LEU59 4.9 0.0 1.0

J.R.Peterson, L.C.Bickford, D.Morgan, A.S.Kim, O.Ouerfelli, M.W.Kirschner, M.K.Rosen. Chemical Inhibition of N-Wasp By Stabilization of A Native Autoinhibited Conformation. Nat.Struct.Mol.Biol. V. 11 747 2004.
ISSN: ISSN 1545-9993
PubMed: 15235593
DOI: 10.1038/NSMB796