Chlorine in PDB 4f8h: X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel

The structure of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel, PDB code: 4f8h was solved by J.J.Pan, Q.Chen, D.Willenbring, X.P.Kong, A.Cohen, Y.Xu, P.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.84 / 2.99
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.069, 132.742, 162.077, 90.00, 103.61, 90.00
R / Rfree (%)	18.7 / 21.9

The binding sites of Chlorine atom in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel (pdb code 4f8h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel, PDB code: 4f8h:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:0.2 occ:0.90 CLAP A:RKE401 0.0 0.2 0.9 CAF A:RKE401 1.8 0.2 0.9 CAD A:RKE401 2.8 73.0 0.9 CAE A:RKE401 2.8 0.5 0.9 CAK A:RKE401 2.9 0.6 0.9 NZ B:LYS183 3.0 77.5 1.0 CD B:LYS183 3.3 73.0 1.0 CAL A:RKE401 3.3 0.3 0.9 OD2 A:ASP154 3.4 0.5 1.0 CE B:LYS183 3.7 0.6 1.0 NAN A:RKE401 3.7 0.1 0.9 CAJ A:RKE401 3.8 93.6 0.9 CAB A:RKE401 4.1 47.5 0.9 CAC A:RKE401 4.1 93.3 0.9 OD1 A:ASN152 4.6 0.0 1.0 CAA A:RKE401 4.6 0.9 0.9 CG A:ASP154 4.6 0.1 1.0 CAM A:RKE401 4.6 0.1 0.9 CG B:LYS183 4.7 43.2 1.0 CG1 B:VAL79 4.7 35.5 1.0 CAG A:RKE401 4.8 0.5 0.9

Chlorine binding site 2 out of 5 in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.6 occ:0.90 CLAP B:RKE401 0.0 0.6 0.9 CAF B:RKE401 1.8 0.1 0.9 CAD B:RKE401 2.8 96.3 0.9 CAE B:RKE401 2.8 0.1 0.9 CAK B:RKE401 2.9 0.5 0.9 CD C:LYS183 3.0 65.3 1.0 NZ C:LYS183 3.1 78.1 1.0 CAL B:RKE401 3.3 0.8 0.9 OD2 B:ASP154 3.4 0.6 1.0 CE C:LYS183 3.6 0.9 1.0 NAN B:RKE401 3.7 0.1 0.9 CAJ B:RKE401 3.9 0.8 0.9 CAB B:RKE401 4.1 37.8 0.9 CAC B:RKE401 4.1 82.0 0.9 CG1 C:VAL79 4.2 37.1 1.0 CG C:LYS183 4.4 56.0 1.0 OD1 B:ASN152 4.5 95.9 1.0 CAA B:RKE401 4.6 84.5 0.9 CG B:ASP154 4.6 0.5 1.0 CAM B:RKE401 4.6 0.9 0.9 CAG B:RKE401 4.7 0.7 0.9 CG2 C:VAL79 4.7 63.6 1.0 CB C:VAL79 4.9 52.5 1.0

Chlorine binding site 3 out of 5 in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:0.1 occ:1.00 CLAP C:RKE401 0.0 0.1 1.0 CAF C:RKE401 1.8 0.2 1.0 CAD C:RKE401 2.8 74.3 1.0 CAE C:RKE401 2.8 0.7 1.0 CAK C:RKE401 2.9 0.8 1.0 NZ D:LYS183 3.0 0.9 1.0 CD D:LYS183 3.3 58.9 1.0 CAL C:RKE401 3.3 0.5 1.0 OD2 C:ASP154 3.4 0.1 1.0 CE D:LYS183 3.7 84.7 1.0 NAN C:RKE401 3.7 0.5 1.0 CAJ C:RKE401 3.9 0.8 1.0 CAB C:RKE401 4.1 37.3 1.0 CAC C:RKE401 4.1 94.2 1.0 CG1 D:VAL79 4.5 27.2 1.0 OD1 C:ASN152 4.6 92.0 1.0 CAA C:RKE401 4.6 0.1 1.0 CG C:ASP154 4.6 0.1 1.0 CAM C:RKE401 4.6 0.2 1.0 CG D:LYS183 4.7 48.3 1.0 CAG C:RKE401 4.8 0.7 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:0.6 occ:0.80 CLAP D:RKE401 0.0 0.6 0.8 CAF D:RKE401 1.8 0.4 0.8 CAD D:RKE401 2.8 82.5 0.8 CAE D:RKE401 2.8 0.3 0.8 CAK D:RKE401 2.9 0.4 0.8 NZ E:LYS183 3.1 86.9 1.0 CD E:LYS183 3.2 57.5 1.0 CAL D:RKE401 3.3 0.1 0.8 OD2 D:ASP154 3.4 0.7 1.0 CE E:LYS183 3.7 0.1 1.0 NAN D:RKE401 3.7 0.3 0.8 CAJ D:RKE401 3.8 0.3 0.8 CAB D:RKE401 4.1 39.3 0.8 CAC D:RKE401 4.1 87.7 0.8 OD1 D:ASN152 4.5 0.0 1.0 CG1 E:VAL79 4.6 28.9 1.0 CAA D:RKE401 4.6 90.2 0.8 CG D:ASP154 4.6 0.5 1.0 CAM D:RKE401 4.6 0.0 0.8 CG E:LYS183 4.6 71.9 1.0 CAG D:RKE401 4.7 0.3 0.8

Chlorine binding site 5 out of 5 in the X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the Anesthetic Ketamine Bound to the Glic Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:0.5 occ:0.80 CLAP E:RKE401 0.0 0.5 0.8 CAF E:RKE401 1.8 0.0 0.8 CAD E:RKE401 2.8 67.3 0.8 CAE E:RKE401 2.8 0.1 0.8 CAK E:RKE401 2.9 0.4 0.8 NZ A:LYS183 3.1 90.0 1.0 CD A:LYS183 3.2 61.9 1.0 CAL E:RKE401 3.3 0.7 0.8 OD2 E:ASP154 3.4 0.4 1.0 CE A:LYS183 3.7 97.7 1.0 NAN E:RKE401 3.7 0.2 0.8 CAJ E:RKE401 3.9 0.8 0.8 CAB E:RKE401 4.1 42.1 0.8 CAC E:RKE401 4.1 89.5 0.8 CG1 A:VAL79 4.4 37.0 1.0 OD1 E:ASN152 4.5 82.5 1.0 CG A:LYS183 4.6 55.7 1.0 CG E:ASP154 4.6 0.7 1.0 CAA E:RKE401 4.6 92.1 0.8 CAM E:RKE401 4.6 0.6 0.8 CAG E:RKE401 4.7 0.2 0.8 CZ A:PHE174 5.0 64.3 1.0

J.Pan, Q.Chen, D.Willenbring, D.Mowrey, X.P.Kong, A.Cohen, C.B.Divito, Y.Xu, P.Tang. Structure of the Pentameric Ligand-Gated Ion Channel Glic Bound with Anesthetic Ketamine. Structure V. 20 1463 2012.
ISSN: ISSN 0969-2126
PubMed: 22958642
DOI: 10.1016/J.STR.2012.08.009