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Chlorine in PDB 6h45: Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine

Enzymatic activity of Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine

All present enzymatic activity of Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine:
2.4.2.29;

Protein crystallography data

The structure of Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine, PDB code: 6h45 was solved by S.Johannsson, P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.16 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 127.500, 158.860, 47.620, 90.00, 108.19, 90.00
R / Rfree (%) 20.1 / 24

Other elements in 6h45:

The structure of Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine also contains other interesting chemical elements:

Potassium (K) 2 atoms
Zinc (Zn) 2 atoms
Bromine (Br) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine (pdb code 6h45). 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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine, PDB code: 6h45:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6h45

Go back to Chlorine Binding Sites List in 6h45
Chlorine binding site 1 out of 5 in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine


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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:57.1
occ:1.00
 O A:HOH619 3.2 44.1 1.0
NH1 B:ARG327 3.6 49.8 1.0
N A:VAL305 3.7 62.6 1.0
CB A:VAL305 3.7 63.0 1.0
CD2 B:LEU299 3.9 51.1 1.0
NH2 B:ARG327 4.0 45.6 1.0
CA A:VAL305 4.2 62.1 1.0
CZ B:ARG327 4.3 46.6 1.0
N A:LYS304 4.4 66.9 1.0
CG1 A:VAL305 4.5 64.1 1.0
C A:LYS304 4.5 64.2 1.0
CG2 A:VAL305 4.6 64.9 1.0
O B:HOH939 4.7 58.9 1.0
CB A:LYS303 4.7 68.1 1.0
CA A:LYS304 4.8 66.5 1.0
CD1 B:LEU299 5.0 58.2 1.0
C A:LYS303 5.0 68.4 1.0

Chlorine binding site 2 out of 5 in 6h45

Go back to Chlorine Binding Sites List in 6h45
Chlorine binding site 2 out of 5 in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine


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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:64.4
occ:1.00
 O A:HOH648 3.2 39.1 1.0
CD2 A:HIS189 4.1 55.1 1.0
CG1 A:VAL222 4.2 46.6 1.0
CD A:PRO223 4.2 46.1 1.0
O A:ASP221 4.3 64.7 1.0
CB A:LEU197 4.4 44.2 1.0
CD2 A:LEU197 4.4 47.6 1.0
CA A:VAL222 4.4 53.1 1.0
CG2 A:ILE186 4.5 40.3 1.0
CG1 A:ILE186 4.6 47.2 1.0
CB A:VAL222 4.7 47.6 1.0
CG A:LEU197 5.0 45.4 1.0
NE2 A:HIS189 5.0 55.2 1.0
CB A:PRO192 5.0 46.2 1.0

Chlorine binding site 3 out of 5 in 6h45

Go back to Chlorine Binding Sites List in 6h45
Chlorine binding site 3 out of 5 in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine


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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:58.0
occ:1.00
 CG2 B:VAL305 3.2 70.1 1.0
NH1 A:ARG327 3.6 59.7 1.0
NH2 A:ARG327 3.6 57.5 1.0
CZ A:ARG327 4.0 57.3 1.0
CD2 A:LEU299 4.1 48.8 1.0
N B:VAL305 4.1 63.9 1.0
N B:LYS304 4.3 67.3 1.0
CB B:VAL305 4.6 70.5 1.0
CB B:LYS303 4.6 63.2 1.0
C B:LYS304 4.7 62.5 1.0
CA B:VAL305 4.8 67.6 1.0
CA B:LYS304 4.9 64.0 1.0
CB B:LYS304 4.9 65.9 1.0
C B:LYS303 5.0 67.2 1.0

Chlorine binding site 4 out of 5 in 6h45

Go back to Chlorine Binding Sites List in 6h45
Chlorine binding site 4 out of 5 in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine


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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl806

b:78.6
occ:1.00
 O B:ILE86 4.1 75.5 1.0
CE B:LYS88 4.3 58.7 1.0
CA B:ILE86 4.7 67.2 1.0
CB B:ILE86 4.8 65.8 1.0
NZ B:LYS88 4.8 58.5 1.0
CE1 B:PHE95 4.8 43.6 1.0
C B:ILE86 4.9 70.7 1.0

Chlorine binding site 5 out of 5 in 6h45

Go back to Chlorine Binding Sites List in 6h45
Chlorine binding site 5 out of 5 in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine


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 the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl807

b:68.4
occ:0.96
 O B:HOH928 3.0 37.9 1.0
CD2 B:HIS189 3.9 51.7 1.0
CD B:PRO223 4.0 54.0 1.0
CB B:LEU197 4.4 44.8 1.0
CG1 B:VAL222 4.4 58.4 1.0
CA B:VAL222 4.5 63.6 1.0
O B:ASP221 4.6 74.0 1.0
NE2 B:HIS189 4.6 51.9 1.0
CG2 B:ILE186 4.7 54.2 1.0
CD2 B:LEU197 4.7 46.8 1.0
CB B:PRO192 4.7 44.5 1.0
CG B:PRO223 4.8 51.1 1.0
CG1 B:ILE186 4.8 58.6 1.0
CG B:HIS189 4.9 54.0 1.0
CB B:VAL222 4.9 59.3 1.0

Reference:

S.Johannsson, P.Neumann, R.Ficner. Crystal Structure of the Human Trna Guanine Transglycosylase Catalytic Subunit QTRT1. Biomolecules V. 8 2018.
ISSN: ISSN 2218-273X
PubMed: 30149595
DOI: 10.3390/BIOM8030081
Page generated: Sun Jul 28 00:28:31 2024

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