Chlorine in PDB 7x0b: The Structure of A Twitch Radical Sam Dehydrogenase Spey

The structure of The Structure of A Twitch Radical Sam Dehydrogenase Spey, PDB code: 7x0b was solved by X.L.Hou, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.93 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.932, 94.196, 107.577, 90, 90, 90
R / Rfree (%)	21.8 / 24.7

The structure of The Structure of A Twitch Radical Sam Dehydrogenase Spey also contains other interesting chemical elements:

Iron	(Fe)	16 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the The Structure of A Twitch Radical Sam Dehydrogenase Spey (pdb code 7x0b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the The Structure of A Twitch Radical Sam Dehydrogenase Spey, PDB code: 7x0b:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:42.6 occ:1.00 N A:THR265 3.2 21.9 1.0 CG A:GLU266 3.3 49.9 1.0 OG1 A:THR265 3.5 30.1 1.0 N A:GLU266 3.7 28.2 1.0 CA A:VAL264 3.8 28.5 1.0 OE1 A:GLU266 3.9 59.5 1.0 C A:VAL264 4.0 23.3 1.0 CA A:THR265 4.1 26.9 1.0 CD A:GLU266 4.1 53.5 1.0 CG1 A:VAL264 4.1 20.0 1.0 O A:HOH567 4.3 31.3 1.0 O A:GLN263 4.3 20.7 1.0 C A:THR265 4.3 26.7 1.0 CB A:THR265 4.4 23.8 1.0 CB A:GLU266 4.5 42.6 1.0 CB A:VAL264 4.5 22.9 1.0 CA A:GLU266 4.6 30.6 1.0 N A:VAL264 4.9 25.7 1.0 CG2 A:VAL264 5.0 18.8 1.0

Chlorine binding site 2 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:52.1 occ:1.00 O4' A:SAM403 2.8 48.3 1.0 C1 A:GOL410 3.3 29.1 1.0 C3 A:GOL410 3.5 38.5 1.0 N9 A:SAM403 3.7 27.6 1.0 C1' A:SAM403 3.8 39.3 1.0 C4' A:SAM403 3.8 48.1 1.0 CB A:ALA32 3.9 13.3 1.0 C5' A:SAM403 3.9 52.3 1.0 C8 A:SAM403 4.0 18.8 1.0 C2 A:GOL410 4.1 33.2 1.0 C4 A:SAM403 4.1 25.1 1.0 O1 A:GOL410 4.4 22.1 1.0 O1 A:GOL412 4.5 37.1 1.0 CZ3 A:TRP181 4.5 32.0 1.0 N7 A:SAM403 4.5 17.6 1.0 CD2 A:LEU177 4.6 27.2 1.0 C5 A:SAM403 4.6 24.8 1.0 N3 A:SAM403 4.7 17.1 1.0 O3 A:GOL410 4.7 32.7 1.0 O A:HOH570 4.7 32.2 1.0 C1 A:GOL412 4.9 37.7 1.0 O2 A:GOL410 5.0 32.5 1.0

Chlorine binding site 3 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:47.1 occ:1.00 N A:GLY161 3.1 32.7 1.0 ND2 A:ASN243 3.3 20.6 1.0 O A:GLU159 3.5 24.9 1.0 CA A:GLY161 3.5 32.9 1.0 O A:HOH640 3.5 41.0 1.0 OD1 A:ASN243 3.8 23.7 1.0 CG A:ASN243 4.0 27.4 1.0 O A:HOH517 4.1 27.9 1.0 C A:SER160 4.2 28.4 1.0 C A:GLY161 4.3 34.1 1.0 O A:GLY161 4.4 30.0 1.0 O A:HOH541 4.5 32.4 1.0 CA A:SER160 4.5 30.0 1.0 C A:GLU159 4.6 30.0 1.0 O A:HOH596 4.9 37.4 1.0

Chlorine binding site 4 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:45.4 occ:1.00 NH2 A:ARG227 3.2 34.9 1.0 NE A:ARG227 3.6 41.2 1.0 O A:HOH507 3.6 23.2 1.0 CZ A:ARG227 3.8 42.7 1.0 CD1 A:LEU216 4.7 24.3 1.0 CD A:ARG227 4.8 35.8 1.0

Chlorine binding site 5 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:44.1 occ:1.00 NZ B:LYS176 2.7 25.8 1.0 O B:ILE284 2.8 37.9 1.0 O B:THR174 2.9 24.2 1.0 SG B:CYS280 3.2 27.6 1.0 CG B:LYS176 3.4 25.7 1.0 CB B:CYS280 3.5 23.4 1.0 CE B:LYS176 3.6 28.5 1.0 C B:ILE284 3.6 31.5 1.0 CG1 B:ILE284 3.6 28.9 1.0 CA B:ILE284 3.8 32.9 1.0 CD B:LYS176 4.0 25.8 1.0 C B:THR174 4.0 26.4 1.0 CB B:SER247 4.0 24.4 1.0 CB B:ILE284 4.4 28.4 1.0 OG B:SER247 4.5 25.4 1.0 N B:LYS176 4.5 29.8 1.0 CA B:CYS280 4.5 23.3 1.0 CB B:THR174 4.5 29.0 1.0 CA B:THR174 4.6 27.6 1.0 CB B:LYS176 4.6 25.8 1.0 O B:ASP283 4.8 31.9 1.0 N B:THR285 4.8 23.0 1.0 CD1 B:ILE284 4.8 22.2 1.0 O B:HOH573 4.9 35.7 1.0 CA B:LYS176 4.9 26.9 1.0 O B:CYS280 4.9 34.0 1.0

Chlorine binding site 6 out of 6 in the The Structure of A Twitch Radical Sam Dehydrogenase Spey


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of A Twitch Radical Sam Dehydrogenase Spey within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:60.6 occ:1.00 CG B:ARG242 3.2 52.1 1.0 NE B:ARG242 3.3 61.2 1.0 CZ B:ARG242 3.4 67.2 1.0 CD B:ARG239 3.4 35.8 1.0 CD B:ARG242 3.6 58.3 1.0 NH2 B:ARG242 3.7 68.2 1.0 NH1 B:ARG242 3.9 68.9 1.0 NE B:ARG239 4.0 36.5 1.0 NH1 B:ARG239 4.3 41.9 1.0 CZ B:ARG239 4.4 40.2 1.0 CA B:ARG239 4.4 34.8 1.0 O B:ARG239 4.6 36.4 1.0 CB B:ARG242 4.6 43.0 1.0 CG B:ARG239 4.7 35.5 1.0 CB B:ARG239 4.8 35.0 1.0

J.Zhang, X.Hou, Z.Chen, Y.Ko, M.W.Ruszczycky, Y.Chen, J.Zhou, H.W.Liu. Dioxane Bridge Formation During the Biosynthesis of Spectinomycin Involves A Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved From An Epimerase. J.Am.Chem.Soc. V. 144 9910 2022.
ISSN: ESSN 1520-5126
PubMed: 35622017
DOI: 10.1021/JACS.2C02676