Xenon in PDB 7b9a: Coos-V with Xe-Soaked

All present enzymatic activity of Coos-V with Xe-Soaked:
1.2.7.4;

The structure of Coos-V with Xe-Soaked, PDB code: 7b9a was solved by J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.41, 230.05, 82.74, 90, 101.52, 90
R / Rfree (%)	23.6 / 27.6

The structure of Coos-V with Xe-Soaked also contains other interesting chemical elements:

Iron	(Fe)	36 atoms
Bromine	(Br)	23 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 61;

Binding sites:

The binding sites of Xenon atom in the Coos-V with Xe-Soaked (pdb code 7b9a). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 61 binding sites of Xenon where determined in the Coos-V with Xe-Soaked, PDB code: 7b9a:
Jump to Xenon binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Xenon binding site 1 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe702 b:50.9 occ:1.00 CD2 A:LEU564 4.0 17.6 1.0 CB A:ALA563 4.1 17.4 1.0 SD A:MET80 4.2 28.7 1.0 CE A:MET80 4.2 25.3 1.0 O A:THR560 4.4 17.9 1.0 CD1 A:ILE603 4.4 19.1 1.0 CG A:LEU564 4.5 20.4 1.0 CG A:PRO579 4.7 25.1 1.0 CB A:THR560 4.7 24.7 1.0 CA A:THR560 4.8 18.8 1.0 N A:LEU564 4.9 20.9 1.0 CD1 A:LEU567 4.9 18.9 1.0 CG2 A:VAL575 4.9 11.4 1.0

Xenon binding site 2 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe703 b:37.3 occ:0.51 CE A:MET582 3.6 29.4 1.0 CG2 A:ILE603 3.7 17.9 1.0 CG2 A:VAL581 3.8 23.9 1.0 CG2 A:THR592 4.0 20.2 1.0 CD1 A:LEU591 4.0 21.8 1.0 CB A:LEU591 4.4 18.6 1.0 CB A:ILE603 4.4 23.0 1.0 SD A:MET582 4.5 35.7 1.0 CG1 A:VAL605 4.7 20.7 1.0 CG2 A:VAL588 4.8 25.2 1.0 CG A:LEU591 4.8 21.7 1.0 CA A:VAL588 5.0 25.5 1.0

Xenon binding site 3 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe704 b:26.3 occ:0.57 OG1 A:THR207 3.5 24.6 1.0 N A:THR207 3.9 17.8 1.0 CD2 A:LEU595 4.0 19.6 1.0 O A:VAL203 4.0 20.3 1.0 CB A:ALA206 4.0 14.4 1.0 CD1 A:LEU210 4.1 16.3 1.0 CD2 A:LEU590 4.2 18.8 1.0 CA A:THR207 4.2 20.0 1.0 C A:ALA206 4.3 19.8 1.0 CD1 A:LEU590 4.3 19.6 1.0 CB A:THR207 4.5 19.8 1.0 CG1 A:VAL203 4.6 12.1 1.0 O A:ALA206 4.7 15.7 1.0 CG A:LEU590 4.7 22.2 1.0 CD1 A:ILE598 4.7 14.3 1.0 CA A:ALA206 4.8 17.7 1.0 CG2 A:ILE598 4.8 15.0 1.0 C A:VAL203 4.9 17.0 1.0

Xenon binding site 4 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe705 b:34.1 occ:0.57 CG1 A:VAL549 3.5 22.6 1.0 O A:ILE447 3.7 32.7 1.0 N A:ALA563 3.8 14.8 1.0 CA A:ALA563 3.8 16.6 1.0 CB A:ALA551 4.0 18.1 1.0 CB A:ALA563 4.0 17.4 1.0 C A:ASP562 4.1 20.4 1.0 O A:ALA559 4.2 19.2 1.0 CB A:ASP562 4.3 20.1 1.0 CB A:ILE447 4.3 31.2 1.0 O A:ASP562 4.4 22.8 1.0 O A:THR550 4.5 21.5 1.0 CG2 A:THR573 4.5 22.4 1.0 C A:THR550 4.5 20.1 1.0 N A:ALA551 4.6 22.2 1.0 CD1 A:ILE447 4.6 18.6 1.0 C A:ILE447 4.7 28.6 1.0 CA A:ALA551 4.8 21.6 1.0 CA A:ASP562 4.8 19.2 1.0 CG2 A:ILE447 4.9 30.9 1.0 CA A:ILE447 4.9 26.4 1.0 CB A:VAL549 5.0 16.6 1.0 N A:THR550 5.0 19.6 1.0

Xenon binding site 5 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 5 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe706 b:30.8 occ:1.00 N A:SER528 4.0 24.0 1.0 CA A:SER528 4.0 25.1 1.0 CD1 A:LEU571 4.2 16.8 1.0 CE2 A:PHE565 4.2 20.0 1.0 CG2 A:VAL549 4.2 17.6 1.0 CB A:SER528 4.2 25.1 1.0 O A:THR524 4.2 25.5 1.0 CG2 A:ILE527 4.3 24.0 1.0 C A:ILE527 4.4 25.6 1.0 CG2 A:VAL531 4.5 13.2 1.0 CD2 A:TYR569 4.5 15.0 1.0 CG2 A:THR524 4.6 23.8 1.0 CB A:ILE527 4.6 25.9 1.0 CE2 A:TYR569 4.6 15.5 1.0 O A:ILE527 4.7 22.3 1.0 CD1 A:ILE447 4.8 18.6 1.0 CD2 A:PHE565 4.8 16.4 1.0

Xenon binding site 6 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 6 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe707 b:40.7 occ:1.00 N A:GLY445 3.7 23.0 1.0 CB A:ALA443 3.9 26.9 1.0 CG2 A:VAL531 3.9 13.2 1.0 C A:VAL444 4.0 20.2 1.0 O A:ALA443 4.1 22.8 1.0 C A:ALA443 4.1 23.2 1.0 CA A:GLY445 4.1 17.4 1.0 CG2 A:ILE527 4.3 24.0 1.0 N A:VAL444 4.3 26.4 1.0 O A:VAL444 4.4 22.7 1.0 CG1 A:VAL547 4.5 19.3 1.0 CA A:VAL444 4.5 21.9 1.0 O A:ALA548 4.6 16.2 1.0 CB A:VAL547 4.6 18.6 1.0 CD1 A:LEU476 4.6 22.8 1.0 CA A:ALA443 4.6 25.6 1.0 CD2 A:LEU476 4.8 24.9 1.0 CB A:LEU476 4.8 17.1 1.0 CG A:LEU476 5.0 23.8 1.0

Xenon binding site 7 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 7 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe708 b:86.9 occ:0.57 CD1 A:ILE512 3.7 23.9 1.0 CD1 A:LEU431 3.8 34.0 1.0 CD2 A:LEU474 4.2 32.5 1.0 CD2 A:LEU424 4.2 28.6 1.0 CD1 A:LEU510 4.4 19.9 1.0 CG2 A:ILE420 4.5 35.2 1.0 CD1 A:LEU516 4.5 21.7 1.0 CG A:LEU424 4.6 29.6 1.0 CD1 A:LEU424 4.8 37.1 1.0 CG A:LEU431 4.9 38.8 1.0

Xenon binding site 8 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 8 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe709 b:27.3 occ:0.54 N A:SER24 3.6 23.0 1.0 CD2 A:LEU23 3.7 19.9 1.0 CB A:PRO345 4.0 20.7 1.0 CB A:SER24 4.0 22.4 1.0 OD1 A:ASN342 4.1 20.3 1.0 CG A:PRO345 4.2 23.9 1.0 CA A:LEU23 4.3 23.9 1.0 CA A:SER24 4.4 21.1 1.0 C A:LEU23 4.4 21.3 1.0 CB A:LEU23 4.6 19.8 1.0 CG A:LEU23 4.8 25.4 1.0 CD1 A:LEU346 4.9 23.8 1.0 O A:SER24 5.0 20.7 1.0 CG A:ASN342 5.0 23.9 1.0

Xenon binding site 9 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 9 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe710 b:54.5 occ:0.59 CZ A:PHE304 3.8 40.3 1.0 CE1 A:PHE304 3.9 39.1 1.0 CG2 A:VAL265 4.3 26.7 1.0 CD1 A:PHE232 4.7 23.6 1.0 CD2 A:LEU269 4.7 29.9 1.0 OG1 A:THR115 4.8 27.0 1.0 CD1 A:LEU269 5.0 26.4 1.0

Xenon binding site 10 out of 61 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 10 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe711 b:44.2 occ:0.54 N A:SER375 3.5 21.0 1.0 OG A:SER375 3.5 21.2 1.0 CD A:PRO374 3.6 21.5 1.0 CE A:MET104 3.7 26.8 1.0 CG A:MET104 3.7 32.4 1.0 CB A:SER375 3.8 21.1 1.0 N A:PRO374 3.9 29.6 1.0 CB A:PRO374 3.9 25.3 1.0 CG A:LYS373 4.0 34.3 1.0 SD A:MET104 4.0 36.8 1.0 CG A:PRO374 4.0 26.1 1.0 CA A:SER375 4.3 28.2 1.0 CA A:PRO374 4.3 31.1 1.0 C A:PRO374 4.3 21.1 1.0 OD2 B:ASP155 4.6 53.5 1.0 C A:LYS373 4.6 24.9 1.0 CE A:LYS373 4.7 39.2 1.0 CB A:MET104 4.8 28.5 1.0 CG A:LYS100 4.9 36.7 1.0 CD A:LYS373 5.0 36.0 1.0

J.H.Jeoung, J.Fesseler, L.Domnik, F.Klemke, M.Sinnreich, C.Teutloff, H.Dobbek. A Morphing [4FE-3S-No]-Cluster Within A Carbon Monoxide Dehydrogenase Scaffold. Angew.Chem.Int.Ed.Engl. V. 61 17000 2022.
ISSN: ESSN 1521-3773
PubMed: 35133707
DOI: 10.1002/ANIE.202117000