Fluorine 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:

Bromine	(Br)	20 atoms
Chlorine	(Cl)	20 atoms

The binding sites of Fluorine 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 Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics, PDB code: 2jst:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 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 Fluorine with other atoms in the F 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:F101 b:21.1 occ:1.00 F1 A:HLT101 0.0 21.1 1.0 C2 A:HLT101 1.4 73.4 1.0 F2 A:HLT101 2.2 2.3 1.0 F3 A:HLT101 2.2 43.4 1.0 C1 A:HLT101 2.4 74.2 1.0 HB1 B:ALA44 2.5 51.3 1.0 HC1 A:HLT101 2.7 25.1 1.0 HB1 A:ALA44 2.8 53.0 1.0 HB2 B:ALA44 3.0 50.3 1.0 CL A:HLT101 3.0 54.3 1.0 HE3 A:TRP15 3.1 40.3 1.0 CB B:ALA44 3.2 30.1 1.0 CE3 A:TRP15 3.4 32.3 1.0 HB2 A:ALA44 3.5 74.4 1.0 CB A:ALA44 3.7 20.0 1.0 HB3 B:ALA44 3.7 25.5 1.0 HB3 A:TRP15 3.8 11.4 1.0 CZ3 A:TRP15 3.8 62.1 1.0 HZ3 A:TRP15 4.0 15.5 1.0 CD2 A:TRP15 4.0 64.0 1.0 BR A:HLT101 4.1 55.1 1.0 HE3 B:TRP15 4.1 13.0 1.0 CA B:ALA44 4.4 61.2 1.0 HB3 A:ALA44 4.4 54.1 1.0 CE3 B:TRP15 4.4 62.5 1.0 HB3 B:TRP15 4.5 25.3 1.0 CG A:TRP15 4.5 64.4 1.0 HA B:ALA44 4.5 71.4 1.0 HA A:TRP15 4.6 1.3 1.0 CB A:TRP15 4.6 11.4 1.0 O A:ALA44 4.6 23.3 1.0 CA A:ALA44 4.6 20.3 1.0 HA A:ALA44 4.6 45.3 1.0 C B:ALA44 4.7 32.2 1.0 C A:ALA44 4.7 10.2 1.0 CH2 A:TRP15 4.7 60.2 1.0 CZ3 B:TRP15 4.8 4.5 1.0 CE2 A:TRP15 4.8 2.5 1.0 O B:ALA44 4.8 71.0 1.0 HA B:TRP15 4.9 50.5 1.0 CD2 B:TRP15 4.9 12.3 1.0 HZ3 B:TRP15 4.9 70.1 1.0 O A:TRP15 4.9 54.1 1.0 O B:TRP15 4.9 2.3 1.0 HB3 A:ALA48 5.0 61.0 1.0

Fluorine binding site 2 out of 3 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 Fluorine with other atoms in the F binding site number 2 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:F101 b:2.3 occ:1.00 F2 A:HLT101 0.0 2.3 1.0 C2 A:HLT101 1.4 73.4 1.0 F1 A:HLT101 2.2 21.1 1.0 F3 A:HLT101 2.2 43.4 1.0 C1 A:HLT101 2.4 74.2 1.0 HC1 A:HLT101 2.7 25.1 1.0 HB1 B:ALA44 3.0 51.3 1.0 CE3 A:TRP15 3.1 32.3 1.0 BR A:HLT101 3.1 55.1 1.0 CD2 A:TRP15 3.2 64.0 1.0 CZ3 A:TRP15 3.2 62.1 1.0 HB2 B:ALA19 3.3 73.2 1.0 CE2 A:TRP15 3.4 2.5 1.0 CH2 A:TRP15 3.4 60.2 1.0 O B:TRP15 3.5 2.3 1.0 CZ2 A:TRP15 3.6 12.4 1.0 HE3 A:TRP15 3.6 40.3 1.0 HB3 B:ALA44 3.7 25.5 1.0 CB B:ALA44 3.7 30.1 1.0 HZ3 A:TRP15 3.7 15.5 1.0 CL A:HLT101 4.0 54.3 1.0 HB2 B:ALA44 4.0 50.3 1.0 CG A:TRP15 4.0 64.4 1.0 HH2 A:TRP15 4.1 52.4 1.0 HA B:TRP15 4.2 50.5 1.0 NE1 A:TRP15 4.2 5.2 1.0 HA B:ALA19 4.2 54.2 1.0 CB B:ALA19 4.2 35.4 1.0 HZ2 A:TRP15 4.2 43.4 1.0 HB3 A:TRP15 4.4 11.4 1.0 HB3 B:ALA19 4.5 44.5 1.0 H B:ALA19 4.5 43.1 1.0 C B:TRP15 4.5 10.2 1.0 CD1 A:TRP15 4.5 44.4 1.0 HB2 B:LEU18 4.5 0.0 1.0 HB3 B:TRP15 4.5 25.3 1.0 HA A:TRP15 4.6 1.3 1.0 N B:ALA19 4.6 52.3 1.0 CA B:ALA19 4.6 52.4 1.0 CB A:TRP15 4.7 11.4 1.0 CA B:TRP15 4.8 42.3 1.0 HE1 A:TRP15 4.8 13.3 1.0 HB3 B:LEU18 4.8 11.2 1.0

Fluorine binding site 3 out of 3 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 Fluorine with other atoms in the F binding site number 3 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:F101 b:43.4 occ:1.00 F3 A:HLT101 0.0 43.4 1.0 C2 A:HLT101 1.4 73.4 1.0 F1 A:HLT101 2.2 21.1 1.0 F2 A:HLT101 2.2 2.3 1.0 C1 A:HLT101 2.4 74.2 1.0 HB3 B:TRP15 2.5 25.3 1.0 HA B:TRP15 2.8 50.5 1.0 O B:TRP15 3.0 2.3 1.0 CL A:HLT101 3.1 54.3 1.0 CB B:TRP15 3.1 31.5 1.0 BR A:HLT101 3.2 55.1 1.0 HE3 B:TRP15 3.2 13.0 1.0 HB1 B:ALA44 3.2 51.3 1.0 CA B:TRP15 3.3 42.3 1.0 HC1 A:HLT101 3.3 25.1 1.0 C B:TRP15 3.4 10.2 1.0 CG B:TRP15 3.5 40.3 1.0 CE3 B:TRP15 3.6 62.5 1.0 CD2 B:TRP15 3.7 12.3 1.0 HB2 B:TRP15 4.1 0.0 1.0 CB B:ALA44 4.3 30.1 1.0 HB1 A:ALA44 4.4 53.0 1.0 HB2 A:ALA44 4.5 74.4 1.0 HB2 B:ALA19 4.5 73.2 1.0 CD1 B:TRP15 4.5 2.3 1.0 N B:LYS16 4.6 35.2 1.0 HB2 B:ALA44 4.6 50.3 1.0 CZ3 B:TRP15 4.6 4.5 1.0 N B:TRP15 4.7 22.3 1.0 CE2 B:TRP15 4.7 22.1 1.0 HB3 B:ALA44 4.8 25.5 1.0 O B:ALA44 4.8 71.0 1.0 HA B:ALA45 4.9 5.4 1.0 HB3 B:ALA48 4.9 12.3 1.0 HB2 B:LEU18 4.9 0.0 1.0 C B:ALA44 4.9 32.2 1.0 HA B:LYS16 4.9 53.3 1.0 CB A:ALA44 4.9 20.0 1.0 CE3 A:TRP15 5.0 32.3 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