Fluorine in PDB 6qp0: Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3

The structure of Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3, PDB code: 6qp0 was solved by R.Krutyholowa, S.Glatt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.51 / 2.41
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.020, 71.020, 88.570, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 27.5

The structure of Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3 (pdb code 6qp0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3, PDB code: 6qp0:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:39.2 occ:1.00 F1 A:AF3502 0.0 39.2 1.0 AL A:AF3502 1.7 41.6 1.0 MG A:MG503 2.0 33.6 1.0 O1B A:ADP501 2.3 53.6 1.0 O A:HOH918 2.5 49.5 1.0 F3 A:AF3502 2.9 41.2 1.0 F2 A:AF3502 3.0 41.2 1.0 HH21 A:ARG84 3.1 61.2 1.0 O2B A:ADP501 3.2 44.3 1.0 PB A:ADP501 3.2 49.7 1.0 HZ1 A:LYS14 3.2 53.4 1.0 OG1 A:THR15 3.3 65.0 1.0 NH2 A:ARG84 3.7 51.0 1.0 O3B A:ADP501 3.7 50.3 1.0 HH22 A:ARG84 3.9 61.2 1.0 NZ A:LYS14 3.9 44.5 1.0 HZ2 A:LYS14 3.9 53.4 1.0 O A:HOH933 4.1 48.8 1.0 O A:HOH915 4.1 25.5 1.0 HZ3 A:LYS14 4.1 53.4 1.0 HH A:TYR202 4.2 43.1 1.0 H A:THR15 4.3 56.4 1.0 HB2 A:LYS14 4.3 53.8 1.0 HE A:ARG84 4.3 60.4 1.0 O A:HOH940 4.4 40.0 1.0 OH A:TYR202 4.4 35.9 1.0 CZ A:ARG84 4.5 51.0 1.0 CB A:THR15 4.6 47.8 1.0 HA A:ASP198 4.6 67.5 1.0 O3A A:ADP501 4.6 52.0 1.0 HB A:THR15 4.7 57.3 1.0 OD1 A:ASP129 4.7 32.3 1.0 NE A:ARG84 4.7 50.3 1.0 O A:ASP198 4.8 60.0 1.0 O A:HOH924 4.9 18.8 1.0 HH12 A:ARG171 4.9 73.0 1.0 H A:SER11 4.9 51.9 1.0 N A:THR15 5.0 47.0 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:41.2 occ:1.00 F2 A:AF3502 0.0 41.2 1.0 AL A:AF3502 1.7 41.6 1.0 HH21 A:ARG84 1.9 61.2 1.0 O2B A:ADP501 2.7 44.3 1.0 HE A:ARG84 2.7 60.4 1.0 NH2 A:ARG84 2.7 51.0 1.0 HH12 A:ARG171 2.7 73.0 1.0 F3 A:AF3502 2.9 41.2 1.0 F1 A:AF3502 3.0 39.2 1.0 HH11 A:ARG171 3.0 73.0 1.0 NH1 A:ARG171 3.2 60.8 1.0 O1B A:ADP501 3.2 53.6 1.0 HE1 A:TYR202 3.2 48.0 1.0 HH22 A:ARG84 3.3 61.2 1.0 NE A:ARG84 3.4 50.3 1.0 PB A:ADP501 3.5 49.7 1.0 CZ A:ARG84 3.5 51.0 1.0 O A:ASP198 3.7 60.0 1.0 HH A:TYR202 3.8 43.1 1.0 HA A:SER11 4.0 56.9 1.0 CE1 A:TYR202 4.0 40.0 1.0 H A:SER11 4.1 51.9 1.0 OH A:TYR202 4.1 35.9 1.0 O3A A:ADP501 4.2 52.0 1.0 HA A:GLU199 4.3 77.5 1.0 CZ A:ARG171 4.4 62.5 1.0 O A:GLU200 4.4 55.4 1.0 C A:ASP198 4.5 59.7 1.0 O1A A:ADP501 4.5 53.5 1.0 CZ A:TYR202 4.5 37.9 1.0 HB3 A:SER11 4.7 59.7 1.0 O A:HOH918 4.7 49.5 1.0 CD A:ARG84 4.7 49.4 1.0 N A:SER11 4.7 43.2 1.0 CA A:SER11 4.7 47.4 1.0 O3B A:ADP501 4.8 50.3 1.0 HA A:ASP198 4.8 67.5 1.0 HD3 A:ARG84 4.8 59.3 1.0 NH1 A:ARG84 4.8 50.3 1.0 HH22 A:ARG171 4.8 76.3 1.0 MG A:MG503 4.8 33.6 1.0 HD3 A:ARG171 4.9 74.4 1.0 HZ2 A:LYS14 5.0 53.4 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Chaetomium Thermophilum KTI12 in Complex with Adp-ALF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F502 b:41.2 occ:1.00 F3 A:AF3502 0.0 41.2 1.0 HH A:TYR202 1.6 43.1 1.0 AL A:AF3502 1.7 41.6 1.0 O2B A:ADP501 2.1 44.3 1.0 H A:SER11 2.3 51.9 1.0 OH A:TYR202 2.3 35.9 1.0 HZ2 A:LYS14 2.3 53.4 1.0 HZ1 A:LYS14 2.9 53.4 1.0 F2 A:AF3502 2.9 41.2 1.0 F1 A:AF3502 2.9 39.2 1.0 NZ A:LYS14 3.0 44.5 1.0 HE1 A:TYR202 3.0 48.0 1.0 HA A:PRO10 3.1 47.6 1.0 N A:SER11 3.1 43.2 1.0 PB A:ADP501 3.2 49.7 1.0 CZ A:TYR202 3.3 37.9 1.0 HZ3 A:LYS14 3.3 53.4 1.0 CE1 A:TYR202 3.5 40.0 1.0 HA A:SER11 3.6 56.9 1.0 O3B A:ADP501 3.6 50.3 1.0 O1B A:ADP501 3.7 53.6 1.0 HD21 A:LEU131 3.7 39.8 1.0 HE A:ARG84 3.8 60.4 1.0 CA A:PRO10 3.9 39.7 1.0 CA A:SER11 4.0 47.4 1.0 C A:PRO10 4.0 41.3 1.0 HH21 A:ARG84 4.1 61.2 1.0 CE A:LYS14 4.2 43.5 1.0 HE2 A:LYS14 4.2 52.1 1.0 HB3 A:PRO10 4.3 44.8 1.0 H A:SER12 4.4 52.5 1.0 MG A:MG503 4.5 33.6 1.0 NE A:ARG84 4.5 50.3 1.0 HE3 A:LYS14 4.6 52.1 1.0 CE2 A:TYR202 4.6 38.0 1.0 O A:LEU9 4.6 50.0 1.0 O3A A:ADP501 4.6 52.0 1.0 CB A:PRO10 4.7 37.3 1.0 CD2 A:LEU131 4.7 33.2 1.0 OG A:SER11 4.8 49.4 1.0 NH2 A:ARG84 4.8 51.0 1.0 HG A:LEU131 4.8 38.7 1.0 HE2 A:TYR202 4.8 45.6 1.0 CB A:SER11 4.9 49.8 1.0 CD1 A:TYR202 4.9 42.4 1.0 HB2 A:LYS14 5.0 53.8 1.0 HH12 A:ARG171 5.0 73.0 1.0

R.Krutyholowa, A.Hammermeister, R.Zabel, W.Abdel-Fattah, A.Reinhardt-Tews, M.Helm, M.J.R.Stark, K.D.Breunig, R.Schaffrath, S.Glatt. KTI12, A Pstk-Like Trna Dependent Atpase Essential For Trna Modification By Elongator. Nucleic Acids Res. V. 47 4814 2019.
ISSN: ESSN 1362-4962
PubMed: 30916349
DOI: 10.1093/NAR/GKZ190