Xenon in PDB 9cs5: E. Coli Amtb with Bound Xe Ions

The structure of E. Coli Amtb with Bound Xe Ions, PDB code: 9cs5 was solved by A.Vahedi-Faridi, T.Kowatz, D.T.Lodowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.26 / 2.13
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	110.343, 110.343, 84.457, 90, 90, 120
R / Rfree (%)	15.2 / 17.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Xenon atom in the E. Coli Amtb with Bound Xe Ions (pdb code 9cs5). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 13 binding sites of Xenon where determined in the E. Coli Amtb with Bound Xe Ions, PDB code: 9cs5:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Xenon binding site 1 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe504 b:38.8 occ:0.87 HE2 A:PHE231 3.2 45.6 1.0 HB3 A:PHE213 3.4 42.4 1.0 HE1 A:PHE12 3.4 36.0 1.0 HD21 A:LEU19 3.5 51.6 0.1 HA2 A:GLY214 3.6 38.5 1.0 HD13 A:LEU19 3.7 39.3 0.9 HD2 A:PHE231 3.7 46.1 1.0 HB3 A:ALA217 3.7 39.5 1.0 O A:PHE213 3.9 31.9 1.0 HD12 A:LEU19 3.9 39.3 0.9 CE2 A:PHE231 3.9 38.0 1.0 C A:PHE213 4.0 34.5 1.0 HD23 A:LEU19 4.0 51.6 0.1 HB2 A:PHE213 4.1 42.4 1.0 N A:GLY214 4.1 34.0 1.0 HD11 A:LEU19 4.1 39.3 0.9 HG A:CYS16 4.1 42.1 1.0 CD1 A:LEU19 4.1 32.8 0.9 CB A:PHE213 4.1 35.4 1.0 SG A:CYS16 4.1 35.0 1.0 CE1 A:PHE12 4.1 30.0 1.0 CD2 A:LEU19 4.2 43.0 0.1 CD2 A:PHE231 4.2 38.5 1.0 CA A:GLY214 4.3 32.1 1.0 HZ A:PHE12 4.4 39.5 1.0 H A:GLY214 4.4 40.8 1.0 CB A:ALA217 4.6 33.0 1.0 HD22 A:LEU19 4.6 51.6 0.1 CZ A:PHE12 4.6 32.9 1.0 HA3 A:GLY214 4.7 38.5 1.0 CA A:PHE213 4.7 39.7 1.0 HB2 A:ALA217 4.7 39.5 1.0 HB1 A:ALA217 4.7 39.5 1.0 HA A:CYS16 5.0 36.9 1.0 HD13 A:LEU19 5.0 44.2 0.1

Xenon binding site 2 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe505 b:45.3 occ:0.56 HG23 A:THR205 2.9 45.8 1.0 HE1 A:PHE202 3.3 46.3 1.0 HG22 A:THR205 3.5 45.8 1.0 CG2 A:THR205 3.5 38.1 1.0 HB A:THR205 3.6 45.1 1.0 HD1 A:PHE202 3.7 40.1 1.0 CE1 A:PHE202 3.8 38.6 1.0 HA A:ALA206 3.9 47.2 1.0 HA A:CYS262 4.0 48.6 1.0 CD1 A:PHE202 4.0 33.4 1.0 HB2 A:ALA206 4.0 37.4 1.0 CB A:THR205 4.1 37.5 1.0 N A:ALA206 4.3 31.1 1.0 HB2 A:ALA265 4.3 41.6 1.0 HG21 A:THR205 4.4 45.8 1.0 H A:ALA206 4.4 37.4 1.0 HB3 A:ALA265 4.4 41.6 1.0 CA A:ALA206 4.4 39.3 1.0 C A:THR205 4.5 37.4 1.0 SG A:CYS262 4.6 37.5 1.0 O A:PHE202 4.6 35.3 1.0 HB1 A:ALA265 4.6 41.6 1.0 CB A:ALA265 4.6 34.7 1.0 CB A:ALA206 4.7 31.2 1.0 CZ A:PHE202 4.8 35.8 1.0 O A:THR205 4.8 31.6 1.0 CA A:CYS262 4.9 40.5 1.0 HA A:PHE202 4.9 43.1 1.0 HG A:CYS262 4.9 45.0 1.0 CA A:THR205 5.0 32.9 1.0

Xenon binding site 3 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe506 b:49.6 occ:0.43 HB2 A:SER358 3.0 56.7 1.0 HE22 A:GLN355 3.2 61.1 1.0 HG23 A:THR165 3.2 60.5 1.0 HB2 A:ASP160 3.2 50.4 1.0 HG22 A:THR165 3.2 60.5 1.0 HB3 A:CYS326 3.5 50.1 1.0 NE2 A:GLN355 3.5 50.9 1.0 HB3 A:SER358 3.5 56.7 1.0 HA A:GLN355 3.5 65.7 1.0 HB2 A:ALA158 3.5 59.6 1.0 O A:LEU159 3.6 46.6 1.0 CB A:SER358 3.6 47.2 1.0 CG2 A:THR165 3.7 50.5 1.0 HG A:SER358 3.7 67.2 1.0 HE21 A:GLN355 3.8 61.1 1.0 CD A:GLN355 4.0 44.1 1.0 SG A:CYS326 4.1 47.5 1.0 HG13 A:ILE359 4.1 58.1 1.0 OE1 A:GLN355 4.2 51.5 1.0 OG A:SER358 4.2 56.0 1.0 CB A:CYS326 4.2 41.7 1.0 CB A:ASP160 4.2 42.0 1.0 HG21 A:THR165 4.2 60.5 1.0 HB3 A:GLN355 4.2 54.3 1.0 O A:GLN355 4.3 52.5 1.0 CA A:GLN355 4.4 54.8 1.0 C A:LEU159 4.4 47.9 1.0 H A:LEU159 4.4 63.4 1.0 HG1 A:THR165 4.4 59.9 1.0 CB A:ALA158 4.5 49.7 1.0 HB3 A:ASP160 4.7 50.4 1.0 OD2 A:ASP160 4.7 45.2 1.0 CB A:GLN355 4.7 45.3 1.0 N A:LEU159 4.7 52.9 1.0 HA A:CYS326 4.7 62.3 1.0 OG1 A:THR165 4.7 49.9 1.0 CG A:ASP160 4.7 46.7 1.0 C A:GLN355 4.8 52.6 1.0 HB3 A:ALA158 4.9 59.6 1.0 CB A:THR165 4.9 47.3 1.0 HB2 A:CYS326 4.9 50.1 1.0 HA A:ASP160 4.9 50.6 1.0 HB1 A:ALA158 4.9 59.6 1.0 H A:ILE359 4.9 68.0 1.0 CG A:GLN355 4.9 42.1 1.0 CA A:SER358 5.0 49.4 1.0 CA A:ASP160 5.0 42.2 1.0 N A:ASP160 5.0 45.2 1.0 CG1 A:ILE359 5.0 48.5 1.0 CA A:CYS326 5.0 51.9 1.0

Xenon binding site 4 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe507 b:39.9 occ:0.25 HD11 A:LEU19 3.0 44.2 0.1 HG21 A:ILE15 3.5 41.7 1.0 HD23 A:LEU19 3.5 39.9 0.9 HD12 A:LEU19 3.7 44.2 0.1 CD1 A:LEU19 3.8 36.9 0.1 HG22 A:ILE15 3.8 41.7 1.0 XE A:XE508 3.8 49.7 0.2 CG2 A:ILE15 4.0 34.8 1.0 HG A:LEU19 4.1 35.7 0.9 HD11 A:LEU19 4.1 39.3 0.9 XE A:XE508 4.2 49.7 0.3 HD13 A:LEU19 4.2 44.2 0.1 HG23 A:ILE15 4.3 41.7 1.0 CD2 A:LEU19 4.3 33.2 0.9 HD22 A:LEU19 4.5 39.9 0.9 CG A:LEU19 4.6 29.8 0.9 CD1 A:LEU19 4.7 32.8 0.9 HG A:LEU19 4.8 38.7 0.1 CG A:LEU19 4.9 32.2 0.1

Xenon binding site 5 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe508 b:49.7 occ:0.30 XE A:XE508 0.0 49.7 0.3 XE A:XE508 3.6 49.7 0.2 HE2 A:PHE22 4.2 35.5 1.0 XE A:XE507 4.2 39.9 0.2 CE2 A:PHE22 4.4 29.6 1.0 HD23 A:LEU19 4.6 39.9 0.9 HD22 A:LEU19 4.7 39.9 0.9 CZ A:PHE22 4.8 29.7 1.0 CD2 A:PHE22 4.8 39.3 1.0 HZ A:PHE22 4.9 35.6 1.0 HD2 A:PHE22 4.9 47.1 1.0

Xenon binding site 6 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 6 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe508 b:49.7 occ:0.16 XE A:XE508 0.0 49.7 0.2 HG21 A:ILE210 2.9 43.1 1.0 HD23 A:LEU19 2.9 39.9 0.9 HG22 A:ILE210 3.1 43.1 1.0 CG2 A:ILE210 3.3 35.9 1.0 HG23 A:ILE210 3.4 43.1 1.0 XE A:XE508 3.6 49.7 0.3 CD2 A:LEU19 3.7 33.2 0.9 XE A:XE507 3.8 39.9 0.2 HD21 A:LEU19 3.9 39.9 0.9 HD22 A:LEU19 4.0 39.9 0.9 HD11 A:LEU19 4.1 44.2 0.1 HD23 A:LEU19 4.3 51.6 0.1 HG A:LEU19 4.3 38.7 0.1 HD11 A:LEU19 4.5 39.3 0.9 CB A:ILE210 4.8 28.4 1.0 CD1 A:LEU19 4.9 36.9 0.1 CG A:LEU19 4.9 32.2 0.1 CG A:LEU19 5.0 29.8 0.9 HE2 A:PHE22 5.0 35.5 1.0

Xenon binding site 7 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 7 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe509 b:42.2 occ:0.10 HD13 A:ILE15 3.0 54.8 1.0 HD11 A:ILE15 3.1 54.8 1.0 HB2 A:ALA11 3.3 38.5 1.0 CD1 A:ILE15 3.4 45.6 1.0 HA A:PHE12 3.7 35.5 1.0 HD12 A:ILE15 3.7 54.8 1.0 HB1 A:ALA11 3.8 38.5 1.0 CB A:ALA11 4.0 32.0 1.0 C A:ALA11 4.2 31.8 1.0 N A:PHE12 4.2 34.6 1.0 O A:ALA11 4.3 34.5 1.0 CA A:PHE12 4.4 29.6 1.0 H A:PHE12 4.5 41.5 1.0 HB A:ILE15 4.6 38.7 1.0 HD1 A:PHE12 4.7 40.5 1.0 CG1 A:ILE15 4.7 39.3 1.0 HB2 A:PHE12 4.7 38.0 1.0 HB3 A:ALA11 4.7 38.5 1.0 CA A:ALA11 4.8 31.9 1.0

Xenon binding site 8 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 8 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe510 b:45.3 occ:0.13 XE A:XE510 0.0 45.3 0.1 XE A:XE510 2.5 49.3 0.1 HD11 A:ILE207 3.0 53.4 1.0 HG21 A:THR203 3.4 51.3 1.0 HG23 A:THR203 3.6 51.3 1.0 HG22 A:THR203 3.8 51.3 1.0 O A:HOH724 3.8 54.2 0.3 CG2 A:THR203 3.8 42.8 1.0 CD1 A:ILE207 4.0 44.5 1.0 HD13 A:ILE207 4.2 53.4 1.0 HD12 A:ILE207 4.4 53.4 1.0 HD12 A:LEU30 4.6 56.5 1.0 HD11 A:LEU30 4.8 56.5 1.0 HG13 A:ILE207 4.8 43.6 1.0 HD13 A:LEU30 4.9 56.5 1.0 CG1 A:ILE207 4.9 36.3 1.0 HG12 A:ILE207 4.9 43.6 1.0 CD1 A:LEU30 5.0 47.1 1.0

Xenon binding site 9 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 9 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe510 b:49.3 occ:0.08 XE A:XE510 0.0 49.3 0.1 XE A:XE510 2.5 45.3 0.1 HD11 A:ILE207 3.1 53.4 1.0 HZ A:PHE22 3.1 35.6 1.0 HD13 A:ILE207 3.6 53.4 1.0 CD1 A:ILE207 3.8 44.5 1.0 HG12 A:ILE207 3.9 43.6 1.0 CZ A:PHE22 4.0 29.7 1.0 HE1 A:PHE22 4.1 45.8 1.0 CG1 A:ILE207 4.3 36.3 1.0 CE1 A:PHE22 4.5 38.1 1.0 HG13 A:ILE207 4.6 43.6 1.0 HD12 A:ILE207 4.6 53.4 1.0

Xenon binding site 10 out of 13 in the E. Coli Amtb with Bound Xe Ions


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 10 of E. Coli Amtb with Bound Xe Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe511 b:60.8 occ:0.22 XE A:XE511 0.0 60.8 0.2 XE A:XE511 1.5 141.0 0.3 HG11 A:VAL235 2.9 50.3 1.0 CG1 A:VAL235 3.8 41.9 1.0 HG13 A:VAL235 3.9 50.3 1.0 HG12 A:VAL235 4.1 50.3 1.0 HG21 A:VAL235 4.4 39.8 1.0 CB A:VAL235 4.9 38.6 1.0

A.Vahedi-Faridi, T.Kowatz, D.T.Lodowski. E. Coli Amtb with Bound Xe Ions To Be Published.