Chlorine in PDB 8tg6: Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions

The structure of Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions, PDB code: 8tg6 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)	66.41 / 1.60
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	101.679, 101.679, 101.14, 90, 90, 120
R / Rfree (%)	14.3 / 18.2

The binding sites of Chlorine atom in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions (pdb code 8tg6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions, PDB code: 8tg6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions


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 Aeropyrum Pernix in Complex with Sulfate Anions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:32.3 occ:1.00 O A:HOH412 2.9 26.9 1.0 N A:HIS120 3.2 14.1 1.0 ND1 A:HIS120 3.6 16.7 1.0 CB A:HIS120 3.6 13.7 1.0 CE1 A:HIS96 3.8 18.0 1.0 CA A:HIS120 3.9 14.3 1.0 O A:LYS118 4.0 17.8 1.0 CD A:ARG116 4.0 24.4 1.0 CA A:VAL119 4.0 15.4 1.0 CG A:HIS120 4.0 14.3 1.0 NH1 A:ARG116 4.0 26.3 1.0 C A:VAL119 4.0 14.2 1.0 O A:HIS120 4.2 17.1 1.0 O A:HOH356 4.3 43.1 1.0 ND1 A:HIS96 4.6 19.0 1.0 C A:HIS120 4.6 14.8 1.0 CE1 A:HIS120 4.7 16.6 1.0 O A:HOH424 4.7 46.7 1.0 CG1 A:VAL119 4.7 17.8 1.0 NE A:ARG116 4.8 27.4 1.0 CZ A:ARG116 4.8 26.1 1.0 C A:LYS118 4.9 17.1 1.0 NE2 A:HIS96 4.9 18.5 1.0 CB A:VAL119 4.9 16.1 1.0 N A:VAL119 4.9 16.0 1.0 CG A:ARG116 5.0 24.2 1.0

Chlorine binding site 2 out of 4 in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions


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 Aeropyrum Pernix in Complex with Sulfate Anions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:59.3 occ:1.00 NH1 A:ARG72 3.0 14.9 1.0 N A:GLU84 3.1 19.5 1.0 NH2 A:ARG72 3.3 13.8 1.0 O A:HOH360 3.3 26.4 1.0 CZ A:ARG72 3.6 12.7 1.0 CG A:GLU84 3.6 36.2 1.0 CB A:GLU84 3.7 27.1 1.0 O A:ASN82 3.8 19.5 1.0 CA A:VAL83 3.9 15.1 1.0 C A:VAL83 3.9 15.9 1.0 CA A:GLU84 4.0 21.4 1.0 CG A:GLU27 4.3 16.6 1.0 CB A:GLU27 4.5 15.2 1.0 O A:HOH390 4.5 29.0 1.0 C A:ASN82 4.6 17.0 1.0 N A:VAL83 4.7 16.8 1.0 ND2 A:ASN82 4.8 33.7 1.0 CD A:GLU84 4.8 41.7 1.0 CG1 A:VAL83 4.9 13.1 1.0 NE A:ARG72 4.9 11.0 1.0 CB A:VAL83 4.9 13.0 1.0

Chlorine binding site 3 out of 4 in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions


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 Aeropyrum Pernix in Complex with Sulfate Anions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:59.6 occ:0.85 O A:HOH340 2.9 32.3 1.0 NH1 A:ARG26 3.0 19.6 1.0 ND2 A:ASN82 3.6 33.7 1.0 NH2 A:ARG26 3.7 20.7 1.0 CG A:ASN82 3.7 30.2 1.0 CZ A:ARG26 3.8 17.5 1.0 CB A:ASN82 4.0 20.9 1.0 OD1 A:ASN82 4.3 33.2 1.0 OE2 A:GLU27 4.9 27.6 1.0

Chlorine binding site 4 out of 4 in the Trna 2'-Phosphotransferase (TPT1) From Aeropyrum Pernix in Complex with Sulfate Anions


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 Aeropyrum Pernix in Complex with Sulfate Anions within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:46.3 occ:1.00 O A:HOH386 2.6 34.7 1.0 ND1 A:HIS77 2.8 13.4 1.0 O A:HOH353 3.3 18.1 1.0 O A:HOH405 3.7 32.3 1.0 CE1 A:HIS77 3.7 13.2 1.0 CG A:HIS77 3.8 11.5 1.0 N A:HIS77 3.8 11.9 1.0 CA A:TYR75 3.8 11.3 1.0 N A:GLY76 3.9 11.8 1.0 CB A:HIS77 3.9 12.2 1.0 C A:TYR75 4.1 11.2 1.0 CD1 A:LEU117 4.2 27.4 1.0 CA A:HIS77 4.5 10.1 1.0 O A:ARG74 4.6 14.9 1.0 CB A:TYR75 4.6 12.1 1.0 NE2 A:HIS120 4.7 17.7 1.0 N A:TYR75 4.8 11.0 1.0 O A:HIS77 4.8 13.9 1.0 C A:GLY76 4.8 12.9 1.0 CG2 A:VAL81 4.8 20.8 1.0 CA A:GLY76 4.8 12.9 1.0 NE2 A:HIS77 4.9 13.8 1.0 CD2 A:HIS77 4.9 12.2 1.0 O A:TYR75 4.9 12.8 1.0 CG A:LEU117 5.0 27.1 1.0 O A:HOH361 5.0 44.0 1.0

A.Jacewicz, S.Dantuluri, S.Shuman. Structural Basis For TPT1-Catalyzed 2'-Po 4 Transfer From Rna and Nadp(H) to Nad. Proc.Natl.Acad.Sci.Usa V. 120 99120 2023.
ISSN: ESSN 1091-6490
PubMed: 37883434
DOI: 10.1073/PNAS.2312999120