Chlorine in PDB 4x3l: Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212

The structure of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212, PDB code: 4x3l was solved by H.Demirci, R.Belardinelli, G.Jogl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.11 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.170, 115.950, 58.680, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.7

The binding sites of Chlorine atom in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 (pdb code 4x3l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212, PDB code: 4x3l:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:36.0 occ:0.94 ND2 A:ASN154 3.2 35.0 1.0 N A:GLY124 3.3 29.0 1.0 CA A:GLY121 3.3 46.8 1.0 C A:GLY121 3.6 48.5 1.0 O A:GLY121 3.7 50.9 1.0 CB A:ASN154 3.8 32.1 1.0 CA A:GLY124 3.8 31.8 1.0 CG A:GLN150 3.9 46.8 1.0 CA A:VAL151 3.9 30.0 1.0 OE1 A:GLN150 4.0 66.1 1.0 CG A:ASN154 4.0 39.4 1.0 N A:LEU123 4.1 38.6 1.0 O A:GLN150 4.2 29.2 1.0 O A:HOH514 4.2 47.8 1.0 CB A:VAL151 4.3 31.2 1.0 N A:VAL151 4.3 29.8 1.0 CB A:LEU123 4.3 29.3 1.0 C A:LEU123 4.3 27.3 1.0 CD A:GLN150 4.3 58.2 1.0 C A:GLN150 4.4 30.5 1.0 N A:ASN122 4.4 38.2 1.0 CG2 A:VAL151 4.4 33.5 1.0 CA A:LEU123 4.5 35.4 1.0 N A:GLY121 4.7 64.5 1.0 C A:ASN122 4.9 33.7 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:49.0 occ:0.87 NH2 A:ARG57 2.9 50.0 1.0 O A:HOH406 3.0 44.7 1.0 CZ A:ARG57 4.0 56.5 1.0 NH1 A:ARG57 4.3 58.7 1.0 OE2 A:GLU38 4.5 38.6 1.0 O A:HOH436 4.9 66.9 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:46.5 occ:1.00 O B:HOH408 3.0 45.5 1.0 NH2 B:ARG57 3.1 52.9 1.0 CZ B:ARG57 4.1 63.8 1.0 NH1 B:ARG57 4.3 67.5 1.0 OE2 B:GLU38 4.5 42.3 1.0 O B:HOH592 4.8 66.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:36.8 occ:1.00 NH2 B:ARG192 3.2 38.7 1.0 NE B:ARG192 3.3 39.1 1.0 O B:HOH406 3.3 44.5 1.0 CZ B:ARG192 3.7 42.1 1.0 CG B:GLU191 4.1 48.1 1.0 CB B:ARG192 4.1 34.1 1.0 CD B:ARG192 4.5 39.0 1.0 CG B:ARG192 4.5 40.2 1.0 OE1 B:GLU191 4.6 57.2 1.0 CD B:GLU191 4.9 54.4 1.0 CG1 B:VAL224 4.9 49.4 1.0 NH1 B:ARG192 5.0 44.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) in Complex with 5'-Methylthioadenosine in Space Group P21212 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:38.3 occ:0.97 N B:GLY124 3.3 30.5 1.0 ND2 B:ASN154 3.3 41.7 1.0 N B:GLY121 3.3 55.9 1.0 CA B:GLY121 3.5 43.9 1.0 C B:GLY121 3.6 44.0 1.0 O B:HOH488 3.8 45.5 1.0 CG B:GLN150 3.8 64.8 1.0 CG2 B:VAL151 3.8 27.9 0.4 CB B:ASN154 3.8 37.2 1.0 CA B:GLY124 3.8 28.8 1.0 O B:GLY121 3.9 40.2 1.0 CA B:VAL151 3.9 32.3 0.6 CA B:VAL151 3.9 32.3 0.4 CG B:ASN154 4.0 44.4 1.0 O B:GLN150 4.1 36.8 1.0 N B:LEU123 4.1 31.3 1.0 N B:VAL151 4.2 33.5 1.0 C B:GLN150 4.2 32.7 1.0 N B:ASN122 4.2 40.3 1.0 CB B:VAL151 4.3 31.8 0.6 C B:LEU123 4.3 28.1 1.0 CG2 B:VAL151 4.4 31.1 0.6 CB B:LEU123 4.4 32.2 1.0 CD B:GLN150 4.4 76.7 1.0 CA B:LEU123 4.5 33.1 1.0 C B:PRO120 4.5 65.4 1.0 CB B:VAL151 4.5 31.4 0.4 CB B:GLN150 4.7 52.3 1.0 C B:ASN122 4.8 34.6 1.0 CA B:PRO120 4.9 69.5 1.0 NE2 B:GLN150 4.9 78.2 1.0 OE1 B:GLN150 5.0 80.0 1.0

H.Demirci, R.Belardinelli, G.Jogl. Crystal Structure of TTHA0275 From Thermus Thermophilus (HB8) To Be Published.