Xenon in PDB 4o4t: Murine Neuroglobin Under Xenon Pressure 30 Bar

The structure of Murine Neuroglobin Under Xenon Pressure 30 Bar, PDB code: 4o4t was solved by N.Colloc'h, T.Prange, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	89.118, 89.118, 114.883, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 21.7

The structure of Murine Neuroglobin Under Xenon Pressure 30 Bar also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Xenon atom in the Murine Neuroglobin Under Xenon Pressure 30 Bar (pdb code 4o4t). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 7 binding sites of Xenon where determined in the Murine Neuroglobin Under Xenon Pressure 30 Bar, PDB code: 4o4t:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6; 7;

Xenon binding site 1 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe203 b:43.1 occ:0.35 CE A:LYS67 3.7 20.9 1.0 NZ A:LYS67 4.3 19.9 1.0 CD A:LYS67 4.8 19.5 1.0 CG A:LYS67 4.9 18.4 1.0

Xenon binding site 2 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe204 b:27.3 occ:0.55 OG A:SER55 3.5 15.1 1.0 CD2 A:LEU56 3.6 23.6 1.0 XE A:XE207 3.7 36.6 0.2 N A:ALA29 3.7 11.3 1.0 CG A:LEU56 3.8 20.1 1.0 CA A:ALA29 3.8 12.5 1.0 CD2 A:PHE32 3.8 13.4 1.0 C A:PHE28 3.9 10.9 1.0 O A:PHE28 4.0 11.2 1.0 CE2 A:PHE32 4.0 14.4 1.0 O A:PRO52 4.2 16.4 1.0 CD1 A:LEU56 4.2 23.8 1.0 CB A:ALA29 4.2 12.9 1.0 CB A:PHE28 4.3 12.8 1.0 CE2 A:PHE61 4.4 13.7 1.0 CZ A:PHE61 4.6 14.0 1.0 O A:THR25 4.6 13.9 1.0 CA A:PHE28 4.8 11.4 1.0 CB A:SER55 4.9 14.1 1.0 C A:PRO52 4.9 15.0 1.0 CG A:PHE32 5.0 12.7 1.0

Xenon binding site 3 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe205 b:36.2 occ:0.90 CG A:LEU136 4.1 24.8 1.0 CD2 A:LEU136 4.1 24.7 1.0 CA A:TYR137 4.1 23.4 1.0 CG2 A:VAL140 4.1 26.5 1.0 CG2 A:ILE72 4.2 21.5 1.0 CD1 A:TYR137 4.2 23.0 1.0 CZ3 A:TRP133 4.3 22.9 1.0 N A:TYR137 4.3 25.2 1.0 CD2 A:LEU113 4.4 19.6 1.0 CG1 A:ILE72 4.5 19.5 1.0 CB A:ALA75 4.5 21.1 1.0 CB A:TYR137 4.6 23.0 1.0 CE3 A:TRP133 4.6 22.9 1.0 CB A:VAL140 4.7 25.6 1.0 C A:LEU136 4.7 26.0 1.0 CB A:ILE72 4.7 19.9 1.0 O A:LEU136 4.8 23.8 1.0 CA A:ILE72 4.8 20.5 1.0 CG A:TYR137 4.9 22.9 1.0

Xenon binding site 4 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe206 b:31.0 occ:0.35 CD1 A:ILE72 3.7 21.9 1.0 CG1 A:VAL109 3.8 15.9 1.0 CMC A:HEM201 4.0 22.6 1.0 CE1 A:TYR137 4.0 25.4 1.0 CG1 A:ILE72 4.1 19.5 1.0 CBC A:HEM201 4.2 26.3 1.0 CG1 A:VAL68 4.3 18.0 1.0 CD1 A:LEU27 4.3 19.2 1.0 CD2 A:LEU113 4.4 19.6 1.0 CD1 A:LEU113 4.4 20.0 1.0 CB A:LEU113 4.5 15.7 1.0 CD1 A:TYR137 4.5 23.0 1.0 CG A:LEU113 4.7 18.0 1.0 CZ A:TYR137 5.0 25.6 1.0

Xenon binding site 5 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe207 b:36.6 occ:0.25 O A:HOH306 3.5 27.7 1.0 XE A:XE204 3.7 27.3 0.6 CD1 A:LEU56 3.9 23.8 1.0 CB A:PRO52 4.0 16.2 1.0 C A:PRO52 4.2 15.0 1.0 N A:GLU53 4.2 14.8 1.0 CB A:ALA29 4.2 12.9 1.0 O A:PRO52 4.3 16.4 1.0 CA A:GLU53 4.4 14.7 1.0 CA A:ALA29 4.5 12.5 1.0 CG A:LEU56 4.7 20.1 1.0 CA A:PRO52 4.7 15.5 1.0 CB A:GLU53 4.8 16.9 1.0

Xenon binding site 6 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 6 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe208 b:43.5 occ:0.30 O A:MET69 3.9 20.5 1.0 CZ2 A:TRP13 4.0 27.0 1.0 CB A:ASP73 4.0 25.2 1.0 CB A:PRO20 4.1 25.4 1.0 XE A:XE209 4.1 44.2 0.2 C A:MET69 4.2 19.7 1.0 CG A:ASP73 4.3 27.4 1.0 CB A:MET69 4.3 17.8 1.0 CG A:PRO20 4.4 27.7 1.0 CB A:SER17 4.4 35.0 1.0 OD1 A:ASP73 4.4 27.6 1.0 N A:LEU70 4.6 19.1 1.0 OD2 A:ASP73 4.8 34.6 1.0 CE2 A:TRP13 4.8 27.8 1.0 CA A:LEU70 4.8 22.6 1.0 O A:SER17 4.9 34.6 1.0 CA A:MET69 4.9 17.4 1.0 CA A:SER17 4.9 32.8 1.0 NE1 A:TRP13 4.9 29.3 1.0 CH2 A:TRP13 4.9 26.2 1.0

Xenon binding site 7 out of 7 in the Murine Neuroglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 7 of Murine Neuroglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe209 b:44.2 occ:0.20 O A:ARG66 3.6 18.4 1.0 CB A:ARG66 3.9 17.9 1.0 CA A:ARG66 4.1 17.0 1.0 CG A:PRO20 4.1 27.7 1.0 CG A:ARG66 4.1 18.7 0.5 CB A:PRO20 4.1 25.4 1.0 XE A:XE208 4.1 43.5 0.3 C A:ARG66 4.2 17.0 1.0 NH2 A:ARG66 4.4 22.7 0.5 CD A:ARG66 4.4 20.1 0.5 CB A:MET69 4.5 17.8 1.0 N A:LEU70 4.7 19.1 1.0 CG A:ARG66 4.7 17.1 0.5 CD1 A:LEU70 4.9 36.0 1.0

J.H.Abraini, G.Marassio, H.N.David, B.Vallone, T.Prange, N.Colloc'h. Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence For Protein-Dependent Processes in the Mechanisms of General Anesthesia Anesthesiology 2014.
ISSN: ESSN 1528-1175
PubMed: 25211169
DOI: 10.1097/ALN.0000000000000435