Chlorine 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
Bromine	(Br)	20 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics, PDB code: 2jst:

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl101 b:54.3 occ:1.00 CL A:HLT101 0.0 54.3 1.0 C1 A:HLT101 1.8 74.2 1.0 HC1 A:HLT101 2.4 25.1 1.0 C2 A:HLT101 2.7 73.4 1.0 F1 A:HLT101 3.0 21.1 1.0 BR A:HLT101 3.0 55.1 1.0 O A:TRP15 3.1 54.1 1.0 F3 A:HLT101 3.1 43.4 1.0 HA A:TRP15 3.2 1.3 1.0 HB2 A:LEU18 3.6 0.0 1.0 CD2 B:TRP15 3.7 12.3 1.0 CE2 B:TRP15 3.9 22.1 1.0 HB1 A:ALA44 3.9 53.0 1.0 C A:TRP15 3.9 64.3 1.0 HB2 A:ALA19 3.9 25.3 1.0 F2 A:HLT101 4.0 2.3 1.0 CA A:TRP15 4.0 12.1 1.0 CE3 B:TRP15 4.0 62.5 1.0 HB3 A:TRP15 4.1 11.4 1.0 HA B:TRP15 4.1 50.5 1.0 CG B:TRP15 4.1 40.3 1.0 H A:ALA19 4.2 23.3 1.0 CZ2 B:TRP15 4.2 70.2 1.0 HB3 A:LEU18 4.2 25.1 1.0 NE1 B:TRP15 4.3 30.2 1.0 CZ3 B:TRP15 4.3 4.5 1.0 CD1 B:TRP15 4.4 2.3 1.0 HE3 B:TRP15 4.4 13.0 1.0 CH2 B:TRP15 4.4 42.5 1.0 CB A:LEU18 4.4 35.4 1.0 N A:ALA19 4.5 72.3 1.0 CB A:TRP15 4.5 11.4 1.0 HA A:ALA19 4.6 52.2 1.0 HB3 B:TRP15 4.6 25.3 1.0 CB A:ALA19 4.6 1.5 1.0 HB3 A:ALA19 4.6 11.3 1.0 HD13 A:LEU18 4.7 22.2 1.0 CB A:ALA44 4.8 20.0 1.0 HE1 B:TRP15 4.8 62.1 1.0 HZ2 B:TRP15 4.8 43.3 1.0 CB B:TRP15 4.8 31.5 1.0 HB3 A:ALA44 4.8 54.1 1.0 CA A:ALA19 4.8 42.3 1.0 HD12 A:LEU18 4.9 20.5 1.0 CG A:TRP15 4.9 64.4 1.0 HZ3 B:TRP15 4.9 70.1 1.0 CA B:TRP15 4.9 42.3 1.0 HB2 A:ALA44 5.0 74.4 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