Iron 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:

Xenon	(Xe)	61 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 - 36;

Binding sites:

The binding sites of Iron atom in the Coos-V with Xe-Soaked (pdb code 7b9a). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Coos-V with Xe-Soaked, PDB code: 7b9a:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:21.4 occ:1.00 FE1 A:SF4701 0.0 21.4 1.0 S2 A:SF4701 2.3 19.8 1.0 S3 A:SF4701 2.3 16.2 1.0 S4 A:SF4701 2.3 15.3 1.0 FE2 A:SF4701 2.7 18.3 1.0 FE4 A:SF4701 2.7 20.6 1.0 FE3 A:SF4701 2.7 19.8 1.0 SG A:CYS55 2.8 14.2 1.0 CB A:CYS55 3.2 14.7 1.0 S1 A:SF4701 3.9 22.8 1.0 CA A:GLY53 4.1 17.6 1.0 N A:VAL67 4.1 17.5 1.0 N A:GLY53 4.2 19.6 1.0 N A:CYS55 4.4 12.1 1.0 CA A:CYS55 4.4 17.0 1.0 CA A:GLY66 4.5 22.2 1.0 CB A:CYS47 4.7 13.9 1.0 C A:ASN52 4.7 19.8 1.0 CB A:VAL67 4.8 21.5 1.0 C A:GLY66 4.8 18.6 1.0 N A:CYS68 4.8 17.2 1.0 CG2 A:VAL67 4.9 16.6 1.0 O A:ASN52 5.0 16.9 1.0 CA A:VAL67 5.0 20.7 1.0

Iron binding site 2 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:18.3 occ:1.00 FE2 A:SF4701 0.0 18.3 1.0 S1 A:SF4701 2.3 22.8 1.0 S4 A:SF4701 2.3 15.3 1.0 S3 A:SF4701 2.3 16.2 1.0 FE1 A:SF4701 2.7 21.4 1.0 FE4 A:SF4701 2.7 20.6 1.0 FE3 A:SF4701 2.7 19.8 1.0 CB A:CYS50 3.0 21.4 1.0 SG A:CYS50 3.2 25.0 1.0 N A:CYS50 3.7 11.9 1.0 CA A:CYS50 3.7 16.4 1.0 S2 A:SF4701 3.9 19.8 1.0 O A:CYS50 4.1 12.5 1.0 C A:CYS50 4.1 16.9 1.0 N A:GLY53 4.2 19.6 1.0 OG1 A:THR196 4.3 19.6 1.0 C A:LEU49 4.5 14.0 1.0 CG2 A:THR196 4.5 15.1 1.0 CB A:ASN52 4.5 15.8 1.0 CA A:GLY53 4.8 17.6 1.0 N A:ASN52 4.8 18.1 1.0 C A:ASN52 4.8 19.8 1.0 N A:LEU49 4.9 9.4 1.0 CA A:ASN52 5.0 17.0 1.0

Iron binding site 3 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:19.8 occ:1.00 FE3 A:SF4701 0.0 19.8 1.0 S2 A:SF4701 2.3 19.8 1.0 S4 A:SF4701 2.3 15.3 1.0 S1 A:SF4701 2.3 22.8 1.0 FE4 A:SF4701 2.7 20.6 1.0 FE2 A:SF4701 2.7 18.3 1.0 FE1 A:SF4701 2.7 21.4 1.0 SG A:CYS68 2.9 20.0 1.0 CB A:CYS68 3.1 14.2 1.0 N A:CYS68 3.7 17.2 1.0 S3 A:SF4701 3.9 16.2 1.0 CA A:CYS68 4.0 19.1 1.0 NH2 A:ARG78 4.4 17.6 1.0 N A:VAL67 4.6 17.5 1.0 CG2 A:THR196 4.7 15.1 1.0 CA A:GLY66 4.8 22.2 1.0 CG2 A:ILE70 4.8 14.5 1.0 C A:VAL67 4.9 21.5 1.0 C A:GLY66 4.9 18.6 1.0

Iron binding site 4 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:20.6 occ:1.00 FE4 A:SF4701 0.0 20.6 1.0 S1 A:SF4701 2.3 22.8 1.0 S3 A:SF4701 2.3 16.2 1.0 S2 A:SF4701 2.3 19.8 1.0 FE2 A:SF4701 2.7 18.3 1.0 FE3 A:SF4701 2.7 19.8 1.0 FE1 A:SF4701 2.7 21.4 1.0 SG A:CYS47 2.8 14.8 1.0 CB A:CYS47 3.2 13.9 1.0 NH2 A:ARG78 3.7 17.6 1.0 S4 A:SF4701 3.9 15.3 1.0 N A:LEU49 4.1 9.4 1.0 CB A:LEU49 4.2 16.9 1.0 CA A:CYS47 4.5 16.0 1.0 C A:CYS47 4.5 14.0 1.0 N A:GLN48 4.6 11.3 1.0 CA A:LEU49 4.6 11.1 1.0 N A:CYS50 4.6 11.9 1.0 CZ A:ARG78 4.8 7.7 1.0 CG A:LEU49 4.8 12.5 1.0 C A:LEU49 4.9 14.0 1.0 O A:CYS47 4.9 22.7 1.0 CB A:CYS55 4.9 14.7 1.0

Iron binding site 5 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe720 b:36.2 occ:0.59 FE1 A:T2N720 0.0 36.2 0.6 O2 A:T2N720 1.6 23.0 0.6 O1 A:T2N720 1.9 24.5 0.6 S A:H2S724 2.1 26.4 0.6 FE2 A:T2N720 2.9 30.2 0.6 SG A:CYS521 3.1 40.4 1.0 FE3 A:T2N720 3.2 29.2 0.6 OE2 A:GLU295 3.6 39.5 1.0 S2 A:T2N720 3.8 23.3 0.6 SG A:CYS449 3.9 33.8 1.0 CB A:CYS449 4.0 25.1 1.0 O A:ASN448 4.0 26.1 1.0 CA A:CYS449 4.1 28.1 1.0 N A:CYS480 4.2 35.4 0.8 FE4 A:T2N720 4.2 25.9 0.6 S3 A:T2N720 4.3 30.9 0.6 CB A:CYS521 4.3 36.8 1.0 CD A:GLU295 4.4 39.5 1.0 N A:CYS449 4.5 27.7 1.0 OE2 A:GLU556 4.5 31.9 1.0 C A:ASN448 4.6 30.0 1.0 CB A:CYS480 4.6 28.3 0.8 CA A:GLY479 4.6 32.3 1.0 CG A:GLU295 4.7 35.3 1.0 SG A:CYS480 4.8 35.9 0.8 C A:GLY479 4.9 37.2 1.0 NE2 A:HIS259 4.9 32.5 1.0 CE1 A:HIS259 5.0 34.6 1.0

Iron binding site 6 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe720 b:30.2 occ:0.59 FE2 A:T2N720 0.0 30.2 0.6 O1 A:T2N720 1.7 24.5 0.6 S2 A:T2N720 2.1 23.3 0.6 OE2 A:GLU556 2.5 31.9 1.0 FE1 A:T2N720 2.9 36.2 0.6 SG A:CYS449 2.9 33.8 1.0 CB A:CYS449 3.0 25.1 1.0 FE4 A:T2N720 3.2 25.9 0.6 FE3 A:T2N720 3.4 29.2 0.6 O2 A:T2N720 3.4 23.0 0.6 CD A:GLU556 3.6 26.1 1.0 S A:H2S724 3.7 26.4 0.6 CG A:GLU556 4.0 23.2 1.0 CA A:CYS449 4.1 28.1 1.0 S3 A:T2N720 4.6 30.9 0.6 N A:GLU556 4.7 19.8 1.0 CB A:MET555 4.7 22.7 1.0 OE1 A:GLU556 4.7 35.6 1.0 CB A:LYS558 4.9 28.5 1.0 N A:CYS449 4.9 27.7 1.0

Iron binding site 7 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe720 b:29.2 occ:0.59 FE3 A:T2N720 0.0 29.2 0.6 O2 A:T2N720 2.0 23.0 0.6 S2 A:T2N720 2.1 23.3 0.6 S3 A:T2N720 2.2 30.9 0.6 FE4 A:T2N720 2.5 25.9 0.6 SG A:CYS480 2.9 35.9 0.8 FE1 A:T2N720 3.2 36.2 0.6 O1 A:T2N720 3.2 24.5 0.6 FE2 A:T2N720 3.4 30.2 0.6 CB A:CYS480 3.6 28.3 0.8 CD1 A:TRP317 4.3 27.6 1.0 CB A:TRP317 4.4 23.1 1.0 CB A:CYS449 4.6 25.1 1.0 SG A:CYS338 4.7 27.1 1.0 CG A:GLU295 4.7 35.3 1.0 CG A:TRP317 4.7 26.6 1.0 CA A:CYS449 4.8 28.1 1.0 CA A:CYS480 4.8 31.9 0.8 N A:CYS480 4.8 35.4 0.8 N A:TRP317 4.9 25.2 1.0

Iron binding site 8 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe720 b:25.9 occ:0.59 FE4 A:T2N720 0.0 25.9 0.6 S2 A:T2N720 2.1 23.3 0.6 S3 A:T2N720 2.2 30.9 0.6 FE3 A:T2N720 2.5 29.2 0.6 SG A:CYS338 2.9 27.1 1.0 O1 A:T2N720 3.0 24.5 0.6 FE2 A:T2N720 3.2 30.2 0.6 OD1 A:ASN337 3.4 33.9 1.0 O2 A:T2N720 3.9 23.0 0.6 N A:CYS338 4.1 32.5 1.0 CB A:CYS338 4.1 24.7 1.0 CG A:ASN337 4.2 29.6 1.0 C A:ASN337 4.2 29.6 1.0 FE1 A:T2N720 4.2 36.2 0.6 CB A:ASN337 4.3 27.4 1.0 OE2 A:GLU556 4.3 31.9 1.0 O A:ASN337 4.4 36.8 1.0 CA A:CYS338 4.5 26.4 1.0 CE1 A:HIS259 4.6 34.6 1.0 CB A:TRP317 4.7 23.1 1.0 CD1 A:TRP317 4.8 27.6 1.0 CD A:GLU556 4.8 26.1 1.0 CG A:GLU556 4.9 23.2 1.0 CA A:ASN337 4.9 25.9 1.0 CG A:TRP317 4.9 26.6 1.0

Iron binding site 9 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:20.5 occ:1.00 FE1 B:FES1001 0.0 20.5 1.0 S2 B:FES1001 2.2 9.1 1.0 S1 B:FES1001 2.2 12.5 1.0 SG B:CYS38 2.3 24.2 1.0 SG B:CYS41 2.3 20.0 1.0 FE2 B:FES1001 2.7 16.4 1.0 CB B:CYS38 3.2 22.2 1.0 CB B:CYS41 3.5 14.4 1.0 OG B:SER46 3.8 25.9 1.0 N B:CYS41 3.8 20.5 1.0 SG A:CYS41 4.1 23.2 1.0 NH2 B:ARG56 4.1 15.8 1.0 CA B:CYS41 4.2 15.2 1.0 NH2 A:ARG56 4.3 26.6 1.0 CB B:TYR40 4.5 17.3 1.0 CB B:SER46 4.5 15.7 1.0 NE B:ARG56 4.6 28.6 1.0 SG A:CYS38 4.6 24.7 1.0 CA B:CYS38 4.6 22.6 1.0 NE2 A:GLN48 4.7 12.8 1.0 NE A:ARG56 4.8 25.2 1.0 CZ B:ARG56 4.8 25.5 1.0 C B:TYR40 4.9 18.2 1.0 CZ A:ARG56 5.0 21.8 1.0

Iron binding site 10 out of 36 in the Coos-V with Xe-Soaked


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Coos-V with Xe-Soaked within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:16.4 occ:1.00 FE2 B:FES1001 0.0 16.4 1.0 S2 B:FES1001 2.2 9.1 1.0 S1 B:FES1001 2.2 12.5 1.0 SG A:CYS41 2.3 23.2 1.0 SG A:CYS38 2.3 24.7 1.0 FE1 B:FES1001 2.7 20.5 1.0 CB A:CYS38 3.2 22.8 1.0 CB A:CYS41 3.6 22.7 1.0 NH2 B:ARG56 3.8 15.8 1.0 N A:CYS41 3.9 21.3 1.0 NH2 A:ARG56 4.2 26.6 1.0 OG A:SER46 4.2 13.8 1.0 CA A:CYS41 4.3 20.9 1.0 SG B:CYS38 4.4 24.2 1.0 SG B:CYS41 4.4 20.0 1.0 CB A:TYR40 4.4 22.8 1.0 NE B:ARG56 4.5 28.6 1.0 CB A:SER46 4.5 15.3 1.0 CZ B:ARG56 4.5 25.5 1.0 CA A:CYS38 4.6 23.3 1.0 NE A:ARG56 4.6 25.2 1.0 C A:TYR40 4.9 22.9 1.0 NE2 B:GLN48 4.9 19.8 1.0 CZ A:ARG56 4.9 21.8 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