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Bromine 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
Chlorine (Cl) 5 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of the Human Tgt Catalytic Subunit QTRT1 in Complex with Queuine, PDB code: 6h45:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 6h45

Go back to Bromine Binding Sites List in 6h45
Bromine binding site 1 out of 4 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 Bromine with other atoms in the Br 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:Br503

b:71.1
occ:0.37
 OG A:SER326 3.3 58.2 1.0
CD1 A:PHE310 3.7 49.5 1.0
CB A:SER326 4.0 53.1 1.0
CE1 A:PHE310 4.1 43.6 1.0
CB A:PHE329 4.6 54.8 1.0
CG A:PHE310 4.9 49.2 1.0
N A:SER326 5.0 51.5 1.0

Bromine binding site 2 out of 4 in 6h45

Go back to Bromine Binding Sites List in 6h45
Bromine binding site 2 out of 4 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 Bromine with other atoms in the Br 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:Br507

b:87.0
occ:0.89
 O A:CYS280 3.6 51.6 1.0
O A:HOH608 3.8 54.5 1.0
N A:VAL48 3.9 39.3 1.0
OG1 A:THR284 4.0 60.0 1.0
CA A:PRO47 4.0 42.7 1.0
CD A:PRO283 4.1 71.9 1.0
CD1 A:ILE350 4.2 37.9 1.0
CG A:PRO283 4.2 72.4 1.0
CG1 A:ILE350 4.2 37.3 1.0
CB A:PRO47 4.2 38.5 1.0
CA A:VAL281 4.3 58.7 1.0
CE2 A:PHE45 4.4 38.6 1.0
CB A:PRO283 4.5 69.4 1.0
CZ A:PHE45 4.5 40.0 1.0
C A:PRO47 4.5 43.5 1.0
C A:CYS280 4.6 49.9 1.0
CG2 A:VAL48 4.8 36.0 1.0
N A:THR284 4.8 68.1 1.0
C A:VAL281 4.9 63.4 1.0
CB A:VAL48 4.9 43.6 1.0
N A:VAL281 5.0 50.6 1.0
CB A:THR284 5.0 63.6 1.0
CA A:VAL48 5.0 41.5 1.0

Bromine binding site 3 out of 4 in 6h45

Go back to Bromine Binding Sites List in 6h45
Bromine binding site 3 out of 4 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 Bromine with other atoms in the Br 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:Br804

b:65.7
occ:0.35
 OG B:SER326 3.1 56.2 1.0
CD2 B:PHE310 3.5 50.1 1.0
CE2 B:PHE310 3.8 43.0 1.0
CB B:SER326 4.0 54.6 1.0
CB B:PHE329 4.6 52.6 1.0
CG B:PHE310 4.7 49.7 1.0

Bromine binding site 4 out of 4 in 6h45

Go back to Bromine Binding Sites List in 6h45
Bromine binding site 4 out of 4 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 Bromine with other atoms in the Br 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:Br809

b:76.2
occ:0.78
 O B:CYS280 3.4 64.1 1.0
N B:VAL48 3.9 43.2 1.0
CA B:PRO47 3.9 42.9 1.0
CB B:PRO47 4.0 44.3 1.0
CD B:PRO283 4.0 65.8 1.0
CG B:PRO283 4.1 63.4 1.0
CE2 B:PHE45 4.2 40.8 1.0
CD1 B:ILE350 4.3 43.6 1.0
CZ B:PHE45 4.3 42.1 1.0
CB B:PRO283 4.3 60.0 1.0
CG1 B:ILE350 4.3 41.8 1.0
CA B:VAL281 4.4 59.3 1.0
OG1 B:THR284 4.4 68.9 1.0
C B:PRO47 4.5 42.6 1.0
C B:CYS280 4.5 61.5 1.0
C B:VAL281 4.9 62.4 1.0
CB B:VAL48 4.9 47.1 1.0
N B:VAL281 4.9 60.1 1.0
N B:PRO283 4.9 68.4 1.0
N B:THR284 4.9 72.2 1.0
CA B:VAL48 5.0 45.1 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: Thu Jul 11 02:03:26 2024

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