Bromine in PDB 2jst: Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics

The structure of Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics also contains other interesting chemical elements:

Fluorine	(F)	60 atoms
Chlorine	(Cl)	20 atoms

The binding sites of Bromine atom in the Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics (pdb code 2jst). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics, PDB code: 2jst:

Bromine binding site 1 out of 1 in the Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics within 5.0Å range: probe atom residue distance (Å) B Occ A:Br101 b:55.1 occ:1.00 BR A:HLT101 0.0 55.1 1.0 C1 A:HLT101 1.9 74.2 1.0 HC1 A:HLT101 2.5 25.1 1.0 HB2 B:LEU18 2.8 0.0 1.0 C2 A:HLT101 2.8 73.4 1.0 HA B:TRP15 2.9 50.5 1.0 HD13 B:LEU18 2.9 72.1 1.0 CL A:HLT101 3.0 54.3 1.0 F2 A:HLT101 3.1 2.3 1.0 F3 A:HLT101 3.2 43.4 1.0 HD12 B:LEU18 3.2 70.1 1.0 HA A:TRP15 3.3 1.3 1.0 HD13 A:LEU18 3.4 22.2 1.0 CD1 B:LEU18 3.5 41.2 1.0 HB3 B:LEU18 3.6 11.2 1.0 CB B:LEU18 3.6 21.4 1.0 O B:TRP15 3.9 2.3 1.0 HD12 A:LEU18 3.9 20.5 1.0 CA B:TRP15 3.9 42.3 1.0 F1 A:HLT101 4.1 21.1 1.0 CD1 A:LEU18 4.2 73.4 1.0 CG B:LEU18 4.2 72.4 1.0 HB2 A:LEU18 4.2 0.0 1.0 CD1 A:TRP15 4.3 44.4 1.0 CG A:TRP15 4.3 64.4 1.0 O B:GLU14 4.3 22.3 1.0 CA A:TRP15 4.3 12.1 1.0 C B:TRP15 4.4 10.2 1.0 HD11 B:LEU18 4.4 52.2 1.0 NE1 A:TRP15 4.5 5.2 1.0 HD1 A:TRP15 4.5 72.3 1.0 CD2 A:TRP15 4.6 64.0 1.0 CE2 A:TRP15 4.7 2.5 1.0 N B:TRP15 4.7 22.3 1.0 CB B:TRP15 4.7 31.5 1.0 HG B:LEU18 4.7 54.0 1.0 HB3 B:TRP15 4.7 25.3 1.0 CG B:TRP15 4.7 40.3 1.0 H B:LEU18 4.8 30.4 1.0 CB A:TRP15 4.8 11.4 1.0 H B:ALA19 4.8 43.1 1.0 HD11 A:LEU18 4.8 31.0 1.0 C B:GLU14 4.8 32.5 1.0 HE1 A:TRP15 4.9 13.3 1.0 HB3 A:TRP15 4.9 11.4 1.0 CA B:LEU18 4.9 43.4 1.0 CD1 B:TRP15 4.9 2.3 1.0 HD1 B:TRP15 5.0 10.2 1.0 O A:TRP15 5.0 54.1 1.0 HB3 A:LEU18 5.0 25.1 1.0

T.Cui, V.Bondarenko, D.Ma, C.Canlas, N.R.Brandon, J.S.Johansson, Y.Xu, P.Tang. Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets. Part II: Halothane Effects on Structure and Dynamics Biophys.J. V. 94 4464 2008.
ISSN: ISSN 0006-3495
PubMed: 18310239
DOI: 10.1529/BIOPHYSJ.107.117853