Chlorine in PDB 7ohg: Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue

The structure of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue, PDB code: 7ohg was solved by A.Garcia-Pino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.12 / 2.51
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.121, 88.121, 182.889, 90, 90, 90
R / Rfree (%)	20.7 / 24.5

The structure of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue (pdb code 7ohg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue, PDB code: 7ohg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:57.0 occ:1.00 NE A:ARG32 3.8 55.4 1.0 CD A:ARG32 4.4 52.6 1.0 CB A:ARG32 4.5 48.1 1.0 NH2 A:ARG92 4.7 61.8 1.0 CZ A:ARG32 4.8 54.9 1.0 NH2 A:ARG32 4.8 53.3 1.0

Chlorine binding site 2 out of 5 in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:37.2 occ:1.00 ND2 A:ASN327 3.4 46.4 1.0 CA A:GLY183 3.6 54.1 1.0 N A:GLY183 3.7 53.2 1.0 O A:HOH523 4.0 34.4 1.0 O A:GLY181 4.1 49.4 1.0 CD2 A:TYR329 4.1 50.8 1.0 ND1 A:HIS178 4.2 50.0 1.0 C A:GLY181 4.3 49.5 1.0 CA A:GLY181 4.5 48.8 1.0 CG A:ASN327 4.6 46.8 1.0 CE1 A:HIS178 4.7 50.7 1.0 CE2 A:TYR329 4.7 51.7 1.0 C A:MET182 4.8 52.8 1.0 CG A:TYR329 4.8 49.8 1.0 CB A:TYR329 4.8 48.4 1.0 N A:MET182 4.9 50.1 1.0 O A:HIS178 4.9 43.1 1.0 OD1 A:ASN327 4.9 48.6 1.0 CE A:LYS186 4.9 62.1 1.0

Chlorine binding site 3 out of 5 in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:48.4 occ:1.00 O A:HOH523 3.5 34.4 1.0 NH2 A:ARG249 3.7 92.8 1.0 NH1 A:ARG349 3.8 71.8 1.0 NH2 A:ARG277 3.9 76.2 1.0 NE2 A:GLN347 4.1 72.1 1.0 N A:GLN184 4.1 55.4 1.0 C A:GLY183 4.1 54.7 1.0 CA A:GLY183 4.3 54.1 1.0 CE2 A:TYR329 4.4 51.7 1.0 O A:GLY183 4.6 54.3 1.0 O A:HOH503 4.7 36.6 1.0 O A:ARG355 4.7 67.9 1.0 CZ A:ARG249 4.7 93.4 1.0 CA A:GLN184 4.7 56.7 1.0 CE1 A:HIS354 4.8 68.0 1.0 CZ A:ARG277 4.8 76.0 1.0 OH A:TYR329 4.8 54.6 1.0 OE1 A:GLN347 4.9 72.0 1.0 NE A:ARG249 4.9 90.2 1.0 CZ A:ARG349 4.9 70.9 1.0 CD A:GLN347 5.0 69.9 1.0 OE1 A:GLN184 5.0 78.6 1.0

Chlorine binding site 4 out of 5 in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:68.5 occ:1.00 NH1 A:ARG127 3.2 60.1 1.0 NE A:ARG179 3.5 62.2 1.0 CD A:ARG179 3.8 57.2 1.0 CD A:ARG127 4.0 57.0 1.0 CB A:ARG127 4.1 51.5 1.0 CZ A:ARG127 4.3 60.9 1.0 CG A:ARG179 4.5 51.9 1.0 NE A:ARG127 4.6 59.5 1.0 CZ A:ARG179 4.7 65.3 1.0 CG A:ARG127 4.7 53.9 1.0 O A:GLU124 5.0 65.3 1.0 CD2 A:LEU176 5.0 35.8 1.0 NH2 A:ARG179 5.0 65.4 1.0

Chlorine binding site 5 out of 5 in the Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Thermus Thermophilus Rel Bound to the Non-Hydrolasable Alarmone Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:79.7 occ:1.00 NE1 A:TRP310 3.2 53.4 1.0 N A:LEU339 3.5 63.0 1.0 CD2 A:LEU226 3.6 76.0 1.0 CA A:LEU339 4.0 64.9 1.0 CE2 A:TRP310 4.1 53.2 1.0 CD1 A:TRP310 4.2 53.0 1.0 CZ2 A:TRP310 4.2 53.8 1.0 C A:ALA338 4.6 61.1 1.0 CB A:ALA338 4.7 58.5 1.0 CA A:ALA338 4.7 58.4 1.0 CG A:LEU226 4.9 75.6 1.0

A.Garcia-Pino, A.Garcia-Pino. N/A N/A.