Bromine 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
Xenon	(Xe)	61 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Bromine atom in the Coos-V with Xe-Soaked (pdb code 7b9a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 23 binding sites of Bromine where determined in the Coos-V with Xe-Soaked, PDB code: 7b9a:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Br717 b:25.8 occ:0.44 N A:ASN39 3.5 18.9 1.0 CA A:CYS38 4.0 23.3 1.0 CD2 A:TYR40 4.0 21.5 1.0 CE2 A:TYR40 4.3 25.7 1.0 C A:CYS38 4.3 18.1 1.0 SG A:CYS38 4.3 24.7 1.0 O A:ARG37 4.4 13.6 1.0 CB A:ASN39 4.4 29.4 1.0 CA A:ASN39 4.5 27.8 1.0 N A:TYR40 4.6 15.4 1.0 CB A:CYS38 4.7 22.8 1.0 NH2 A:ARG56 4.9 26.6 1.0

Bromine binding site 2 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Br718 b:30.1 occ:0.36 O A:TYR121 3.8 20.1 1.0 CB A:LYS125 4.1 23.8 1.0 CG2 A:THR131 4.1 26.9 1.0 CB A:TYR121 4.2 21.4 1.0 CD1 A:TYR121 4.2 18.8 1.0 C A:TYR121 4.4 18.6 1.0 CG A:LYS125 4.5 26.3 1.0 CB A:THR131 4.6 25.3 1.0 CG A:TYR121 4.7 17.3 1.0 CA A:TYR121 4.7 21.1 1.0 OG1 A:THR131 4.9 30.1 1.0 CA A:LYS125 4.9 27.4 1.0 N A:LYS125 5.0 22.8 1.0

Bromine binding site 3 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Br719 b:36.3 occ:0.66 N A:ASN130 3.5 30.1 1.0 CD2 A:LEU129 4.0 26.2 1.0 CB A:ASN130 4.0 27.3 1.0 CB A:LEU129 4.0 25.8 1.0 CA A:LEU129 4.0 23.2 1.0 CG A:ARG141 4.0 20.7 1.0 CB A:ARG141 4.1 20.1 1.0 CD A:ARG141 4.2 21.2 1.0 C A:LEU129 4.3 27.5 1.0 CA A:ASN130 4.4 25.0 1.0 CG A:LEU129 4.5 26.6 1.0 NE A:ARG141 5.0 22.9 1.0

Bromine binding site 4 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1016 b:38.6 occ:0.56 N B:ASN39 3.6 17.1 1.0 CB B:ASN39 4.0 20.8 1.0 CD2 B:TYR40 4.1 25.1 1.0 CE2 B:TYR40 4.2 22.5 1.0 CA B:ASN39 4.4 20.3 1.0 CA B:CYS38 4.5 22.6 1.0 O B:ARG37 4.5 23.7 1.0 C B:CYS38 4.6 21.2 1.0 N B:TYR40 4.7 20.0 1.0

Bromine binding site 5 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1017 b:21.6 occ:0.71 N B:SER24 3.7 23.6 1.0 CG B:PRO345 3.7 20.5 1.0 CB B:PRO345 3.8 21.0 1.0 CD2 B:LEU23 4.1 21.0 1.0 CB B:SER24 4.1 21.3 1.0 ND2 B:ASN342 4.1 24.8 1.0 CA B:LEU23 4.4 26.4 1.0 CA B:SER24 4.5 21.1 1.0 C B:LEU23 4.6 24.4 1.0 CB B:LEU23 4.7 21.3 1.0 CD1 B:LEU346 4.7 16.9 1.0

Bromine binding site 6 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1018 b:38.1 occ:0.69 CZ B:PHE304 3.9 40.5 1.0 CG1 B:VAL265 4.1 23.7 1.0 CD1 B:PHE232 4.2 27.4 1.0 CD1 B:LEU269 4.3 25.6 1.0 CE2 B:PHE304 4.4 43.3 1.0 OG1 B:THR115 4.8 30.1 1.0 CD2 B:LEU269 4.8 32.2 1.0 O B:LEU231 4.9 32.1 1.0 CE1 B:PHE232 4.9 28.3 1.0 CA B:PHE232 5.0 31.3 1.0

Bromine binding site 7 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1019 b:35.1 occ:0.53 OG B:SER375 3.5 28.9 1.0 N B:SER375 3.6 23.7 1.0 CB B:SER375 3.7 26.0 1.0 CE B:MET104 3.8 30.8 1.0 CG B:PRO374 3.9 25.3 1.0 CD B:PRO374 3.9 25.6 1.0 N B:PRO374 4.0 32.3 1.0 CG B:MET104 4.0 26.9 1.0 CB B:PRO374 4.1 22.5 1.0 SD B:MET104 4.3 42.9 1.0 CA B:SER375 4.3 26.8 1.0 CA B:PRO374 4.4 25.4 1.0 C B:PRO374 4.4 21.1 1.0 CB B:LYS373 4.5 25.6 1.0 C B:LYS373 4.6 25.8 1.0 OD2 A:ASP155 4.7 46.4 1.0 CA B:LYS373 4.9 27.1 1.0 CB B:MET104 5.0 23.5 1.0

Bromine binding site 8 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1020 b:45.8 occ:0.25 CB B:GLN277 3.0 31.0 1.0 CG B:GLN277 3.5 26.4 1.0 CA B:ALA274 3.8 29.8 1.0 O B:ALA274 3.9 27.6 1.0 CB B:ALA274 4.1 28.5 1.0 OD1 B:ASP278 4.4 20.8 1.0 C B:ALA274 4.4 24.2 1.0 CA B:GLN277 4.4 28.4 1.0 C B:GLN277 4.7 27.8 1.0 CD B:GLN277 4.8 26.9 1.0 N B:ASP278 4.8 28.0 1.0 NZ B:LYS281 4.9 30.6 1.0 N B:ALA274 4.9 30.3 1.0 O B:GLU273 4.9 28.5 1.0 N B:GLN277 5.0 22.7 1.0

Bromine binding site 9 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1021 b:72.2 occ:0.08 NZ B:LYS134 2.5 18.3 1.0 CE B:LYS134 2.6 34.6 1.0 CD B:LYS134 4.0 32.9 1.0 CG B:LYS134 4.9 34.6 1.0

Bromine binding site 10 out of 23 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1022 b:51.8 occ:0.40 CB B:MET582 3.2 19.4 1.0 CG B:MET582 3.6 24.0 1.0 CD2 B:LEU43 3.8 21.4 1.0 OD2 B:ASP578 4.4 25.1 1.0 CA B:MET582 4.6 17.2 1.0 O B:MET582 4.7 24.2 1.0 SD B:MET582 4.8 27.8 1.0 C B:MET582 4.9 21.5 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