Chlorine in PDB 4z90: Elic Bound with the Anesthetic Isoflurane in the Resting State

The structure of Elic Bound with the Anesthetic Isoflurane in the Resting State, PDB code: 4z90 was solved by Q.Chen, M.Kinde, P.Arjunan, 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)	36.97 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	105.848, 267.079, 111.128, 90.00, 106.94, 90.00
R / Rfree (%)	20.9 / 24.3

The structure of Elic Bound with the Anesthetic Isoflurane in the Resting State also contains other interesting chemical elements:

Fluorine

(F)

20 atoms

The binding sites of Chlorine atom in the Elic Bound with the Anesthetic Isoflurane in the Resting State (pdb code 4z90). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Elic Bound with the Anesthetic Isoflurane in the Resting State, PDB code: 4z90:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Elic Bound with the Anesthetic Isoflurane in the Resting State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:0.2 occ:1.00 CL1 A:4LE401 0.0 0.2 1.0 C02 A:4LE401 1.7 0.7 1.0 F01 A:4LE401 2.4 0.5 1.0 C03 A:4LE401 2.5 0.8 1.0 O01 A:4LE401 2.5 0.3 1.0 C01 A:4LE401 2.5 1.0 1.0 F04 A:4LE401 2.6 0.8 1.0 F02 A:4LE401 3.2 0.8 1.0 F03 A:4LE401 3.6 0.3 1.0 F05 A:4LE401 3.8 0.3 1.0 CB B:ALA244 4.2 67.6 1.0 CA B:ALA244 4.8 67.0 1.0 CB A:ALA244 4.9 78.1 1.0 CB C:ALA244 4.9 74.6 1.0

Chlorine binding site 2 out of 4 in the Elic Bound with the Anesthetic Isoflurane in the Resting State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:0.3 occ:1.00 CL1 E:4LE401 0.0 0.3 1.0 C02 E:4LE401 1.7 0.7 1.0 F01 E:4LE401 2.4 0.9 1.0 O01 E:4LE401 2.5 0.1 1.0 C03 E:4LE401 2.5 0.2 1.0 C01 E:4LE401 2.5 0.0 1.0 F04 E:4LE401 3.0 0.7 1.0 F02 E:4LE401 3.3 0.8 1.0 F03 E:4LE401 3.6 0.7 1.0 F05 E:4LE401 3.7 0.8 1.0 CD2 B:LEU240 3.7 71.3 1.0 CD2 A:LEU240 4.0 71.0 1.0 CG2 A:THR237 4.7 82.6 1.0 CD2 C:LEU240 4.7 77.5 1.0 OG1 A:THR237 4.8 87.5 1.0 CD2 E:LEU240 4.8 70.8 1.0 OG1 B:THR237 5.0 88.1 1.0

Chlorine binding site 3 out of 4 in the Elic Bound with the Anesthetic Isoflurane in the Resting State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl401 b:0.1 occ:1.00 CL1 F:4LE401 0.0 0.1 1.0 C02 F:4LE401 1.7 0.5 1.0 F05 F:4LE401 2.2 0.7 1.0 F02 F:4LE401 2.4 0.6 1.0 C01 F:4LE401 2.5 0.5 1.0 O01 F:4LE401 2.6 0.3 1.0 C03 F:4LE401 2.8 0.8 1.0 F03 F:4LE401 3.3 0.8 1.0 F01 F:4LE401 3.6 0.9 1.0 OG1 G:THR237 3.7 91.8 1.0 CG2 G:THR237 3.7 87.2 1.0 F04 F:4LE401 3.9 0.8 1.0 CD2 H:LEU240 4.1 82.1 1.0 CB G:THR237 4.2 90.0 1.0 CA G:THR237 4.7 91.0 1.0 OG1 H:THR237 4.7 88.4 1.0

Chlorine binding site 4 out of 4 in the Elic Bound with the Anesthetic Isoflurane in the Resting State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Elic Bound with the Anesthetic Isoflurane in the Resting State within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl402 b:0.4 occ:1.00 CL1 F:4LE402 0.0 0.4 1.0 C02 F:4LE402 1.7 0.5 1.0 F03 F:4LE402 2.4 0.2 1.0 O01 F:4LE402 2.5 0.9 1.0 C01 F:4LE402 2.6 0.3 1.0 C03 F:4LE402 2.7 0.8 1.0 F01 F:4LE402 3.3 0.9 1.0 F05 F:4LE402 3.5 0.7 1.0 F04 F:4LE402 3.6 0.3 1.0 F02 F:4LE402 3.6 0.4 1.0 CB F:ALA244 3.9 81.7 1.0 CA F:ALA244 4.5 82.2 1.0 CB J:ALA244 4.7 84.5 1.0

Q.Chen, M.N.Kinde, P.Arjunan, M.M.Wells, A.E.Cohen, Y.Xu, P.Tang. Direct Pore Binding As A Mechanism For Isoflurane Inhibition of the Pentameric Ligand-Gated Ion Channel Elic. Sci Rep V. 5 13833 2015.
ISSN: ESSN 2045-2322
PubMed: 26346220
DOI: 10.1038/SREP13833