Chlorine in PDB 8tkb: Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp

The structure of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp, PDB code: 8tkb was solved by A.Jacewicz, S.Dantuluri, S.Shuman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.14 / 1.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.937, 43.665, 122.861, 90, 90, 90
R / Rfree (%)	18.5 / 20.9

The structure of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Potassium	(K)	4 atoms

The binding sites of Chlorine atom in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp (pdb code 8tkb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp, PDB code: 8tkb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:36.7 occ:0.52 OE2 A:GLU27 2.7 41.4 1.0 N A:ARG83 2.8 42.8 1.0 O A:ILE81 2.8 35.9 1.0 NH1 A:ARG71 2.8 31.0 1.0 CD A:GLU27 3.3 44.2 1.0 CG A:GLU27 3.3 30.9 1.0 CA A:LEU82 3.4 38.9 1.0 CB A:GLU27 3.5 30.3 1.0 C A:LEU82 3.6 35.4 1.0 O A:HOH302 3.6 46.7 1.0 C A:ILE81 3.7 38.2 1.0 CB A:ARG83 3.7 45.8 1.0 CA A:ARG83 3.7 47.4 1.0 CZ A:ARG71 3.8 28.4 1.0 NH2 A:ARG71 3.8 29.2 1.0 N A:LEU82 3.9 32.5 1.0 CG A:ARG83 4.0 56.2 1.0 CL A:CL208 4.1 48.5 0.6 CA A:GLU27 4.3 30.4 1.0 OE1 A:GLU27 4.3 44.3 1.0 C A:ARG83 4.5 41.8 1.0 NH1 A:ARG83 4.5 71.8 1.0 O A:GLU27 4.6 29.6 1.0 CD A:ARG83 4.6 48.0 1.0 CB A:LEU82 4.7 41.3 1.0 O A:LEU82 4.8 41.0 1.0 O A:ARG83 4.8 50.0 1.0 CG2 A:ILE81 4.8 40.6 1.0 CD2 A:LEU82 4.9 32.8 1.0 C A:GLU27 5.0 28.2 1.0 CA A:ILE81 5.0 33.1 1.0

Chlorine binding site 2 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:48.5 occ:0.60 O A:HOH302 2.7 46.7 1.0 OE2 A:GLU27 2.7 41.4 1.0 NH1 A:ARG66 2.8 43.6 1.0 CD A:GLU27 3.6 44.2 1.0 OE1 A:GLU27 3.7 44.3 1.0 NH2 A:ARG66 3.7 48.8 1.0 CZ A:ARG66 3.7 54.5 1.0 CL A:CL207 4.1 36.7 0.5 CB A:ARG83 4.2 45.8 1.0 O A:ARG83 4.4 50.0 1.0 NH1 A:ARG83 4.6 71.8 1.0 CD A:ARG83 4.7 48.0 1.0 CG A:GLU27 4.9 30.9 1.0 CG A:ARG83 5.0 56.2 1.0

Chlorine binding site 3 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:41.3 occ:0.78 O A:HOH376 2.4 49.4 1.0 N A:GLY96 3.1 22.9 1.0 CA A:ALA127 3.8 25.5 1.0 CA A:HIS95 3.8 23.4 1.0 CB A:ALA127 3.8 24.9 1.0 C A:HIS95 3.9 24.8 1.0 O A:TYR94 4.0 24.4 1.0 CA A:GLY96 4.0 24.6 1.0 O A:HIS119 4.1 27.4 1.0 CB A:THR130 4.1 37.9 1.0 CG2 A:THR130 4.1 42.5 1.0 O A:GLY96 4.2 26.4 1.0 O A:ALA127 4.3 23.7 1.0 ND1 A:HIS95 4.5 25.4 1.0 N A:SER121 4.5 23.9 1.0 C A:LEU120 4.5 27.6 1.0 C A:ALA127 4.5 24.8 1.0 O A:HOH374 4.5 43.1 1.0 CA A:LEU120 4.6 20.7 1.0 OG1 A:THR130 4.6 41.4 1.0 CB A:SER121 4.6 31.5 1.0 C A:TYR94 4.6 26.9 1.0 N A:HIS95 4.6 21.8 1.0 C A:GLY96 4.6 27.7 1.0 C A:HIS119 4.7 28.2 1.0 N A:ALA127 4.8 23.6 1.0 CG A:HIS95 4.9 23.1 1.0 CB A:HIS95 4.9 23.1 1.0 N A:LEU120 4.9 23.1 1.0

Chlorine binding site 4 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:43.8 occ:0.76 N A:ILE65 3.0 27.2 1.0 NH2 A:ARG73 3.5 23.3 0.5 O A:ILE65 3.6 28.8 1.0 CA A:GLU64 3.7 25.2 1.0 C A:GLU64 3.8 25.4 1.0 CA A:ILE65 4.0 23.6 1.0 CG1 A:VAL55 4.1 26.4 1.0 CG A:GLU64 4.2 27.8 1.0 CB A:ILE65 4.2 24.4 1.0 C A:ILE65 4.2 26.3 1.0 O A:TYR63 4.3 25.0 1.0 CB A:GLU64 4.4 25.8 1.0 CZ A:ARG73 4.7 30.8 0.5 N A:GLU64 4.7 24.8 1.0 CG1 A:ILE65 4.9 25.3 1.0 C A:TYR63 4.9 26.1 1.0 O A:HOH305 5.0 48.8 1.0

Chlorine binding site 5 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:28.3 occ:0.51 OG A:SER16 2.7 28.4 1.0 N A:GLU19 3.1 31.1 1.0 CA A:SER16 3.2 23.6 1.0 C A:SER16 3.3 24.6 1.0 N A:TRP18 3.4 29.0 1.0 CB A:SER16 3.5 25.6 1.0 CB A:TRP18 3.6 30.0 1.0 CE3 A:TRP18 3.6 33.3 1.0 O A:SER16 3.7 27.0 1.0 CB A:GLU19 3.7 36.9 1.0 CA A:TRP18 3.8 28.7 1.0 C A:TRP18 3.8 32.7 1.0 N A:PRO17 3.8 24.8 1.0 CA A:GLU19 3.9 27.7 1.0 C A:PRO17 4.2 30.4 1.0 CD2 A:TRP18 4.4 31.3 1.0 CG A:TRP18 4.4 31.6 1.0 O A:HIS15 4.5 26.5 1.0 CD A:PRO17 4.5 27.0 1.0 N A:SER16 4.6 24.1 1.0 CZ3 A:TRP18 4.6 28.4 1.0 CA A:PRO17 4.7 23.0 1.0 OE1 A:GLU19 4.9 35.5 1.0 O A:TRP18 4.9 32.6 1.0 C A:HIS15 5.0 27.5 1.0

Chlorine binding site 6 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:39.2 occ:0.69 O A:HOH375 2.1 41.8 1.0 NE2 A:HIS119 2.8 33.1 1.0 N A:GLY75 3.0 27.3 1.0 CE1 A:HIS119 3.6 36.0 1.0 CA A:TYR74 3.6 26.4 1.0 CB A:TYR74 3.7 29.8 1.0 CD2 A:HIS119 3.8 33.0 1.0 C A:TYR74 3.8 24.3 1.0 CA A:GLY75 3.9 30.7 1.0 CD1 A:LEU82 4.0 38.1 1.0 CD2 A:TYR117 4.5 41.3 1.0 N A:HIS76 4.5 26.1 1.0 CG2 A:ILE164 4.6 30.4 1.0 C A:GLY75 4.7 31.6 1.0 CB A:TYR117 4.7 30.0 1.0 ND1 A:HIS119 4.8 33.5 1.0 ND1 A:HIS76 4.8 24.7 1.0 CG A:TYR74 4.9 29.3 1.0 CG A:HIS119 4.9 26.3 1.0 CG A:TYR117 4.9 35.0 1.0

Chlorine binding site 7 out of 7 in the Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:67.3 occ:1.00 NA A:NA214 2.6 39.0 0.9 O4' A:AMP202 3.4 41.1 0.8 NH1 A:ARG133 3.5 40.3 1.0 CD A:ARG133 3.6 41.3 1.0 CG2 A:THR130 3.9 42.5 1.0 N3 A:AMP202 4.1 38.1 0.8 C1' A:AMP202 4.1 44.0 0.8 O2P A:AMP201 4.2 32.9 1.0 CZ A:ARG133 4.4 51.6 1.0 NE2 A:HIS134 4.5 32.3 1.0 C4' A:AMP202 4.5 44.9 0.8 NE A:ARG133 4.5 39.6 1.0 C4 A:AMP202 4.5 35.8 0.8 CB A:ARG133 4.6 32.3 1.0 N9 A:AMP202 4.6 44.6 0.8 O A:THR130 4.6 28.0 1.0 CG A:ARG133 4.7 36.5 1.0 C2 A:AMP202 4.8 38.5 0.8 C5' A:AMP202 4.9 34.3 0.8 NH2 A:ARG115 4.9 42.2 1.0 CD2 A:HIS134 5.0 30.3 1.0

A.Jacewicz, S.Dantuluri, S.Shuman. Trna 2-Phosphotransferase (TPT1) From Pyrococcus Horikoshii in Complex with 5'-Amp To Be Published.