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Rhenium in PDB 5nbj: Dls Tetragonal - Rehewl

Enzymatic activity of Dls Tetragonal - Rehewl

All present enzymatic activity of Dls Tetragonal - Rehewl:
3.2.1.17;

Protein crystallography data

The structure of Dls Tetragonal - Rehewl, PDB code: 5nbj was solved by A.Brink, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.95 / 1.27
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.890, 79.890, 37.000, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 19.7

Other elements in 5nbj:

The structure of Dls Tetragonal - Rehewl also contains other interesting chemical elements:

Chlorine (Cl) 9 atoms
Sodium (Na) 1 atom

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Dls Tetragonal - Rehewl (pdb code 5nbj). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total 10 binding sites of Rhenium where determined in the Dls Tetragonal - Rehewl, PDB code: 5nbj:
Jump to Rhenium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Rhenium binding site 1 out of 10 in 5nbj

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Rhenium binding site 1 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re201

b:33.6
occ:1.00
 NE2 A:HIS15 2.2 26.5 1.0
CE1 A:HIS15 3.1 26.9 1.0
CD2 A:HIS15 3.2 26.1 1.0
OD2 A:ASP87 4.1 35.0 1.0
ND1 A:HIS15 4.3 26.3 1.0
CG A:HIS15 4.3 24.8 1.0
CG A:ASP87 4.8 32.6 1.0
OD1 A:ASP87 5.0 32.4 1.0
OG1 A:THR89 5.0 23.9 1.0

Rhenium binding site 2 out of 10 in 5nbj

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Rhenium binding site 2 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 2 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re202

b:26.6
occ:0.50
 RE A:RE203 2.3 63.6 0.1
OXT A:LEU129 3.8 37.9 1.0
C A:LEU129 4.6 37.1 1.0
CD A:LYS13 4.8 24.4 1.0

Rhenium binding site 3 out of 10 in 5nbj

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Rhenium binding site 3 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 3 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re203

b:63.6
occ:0.12
 RE A:RE202 2.3 26.6 0.5
OXT A:LEU129 2.9 37.9 1.0
C A:LEU129 3.2 37.1 1.0
CA A:LEU129 3.4 35.9 1.0
O A:LEU129 4.1 39.3 1.0
CB A:LEU129 4.2 35.6 1.0
O A:ARG128 4.2 39.4 1.0
CD A:LYS13 4.4 24.4 1.0
CB A:ALA10 4.4 23.7 1.0
N A:LEU129 4.4 35.8 1.0
CA A:ALA10 4.6 22.9 1.0
CD2 A:LEU129 4.7 38.6 1.0
O A:ALA10 4.7 24.8 1.0
C A:ARG128 4.8 36.5 1.0
NZ A:LYS13 4.9 31.4 1.0
CE A:LYS13 4.9 28.2 1.0

Rhenium binding site 4 out of 10 in 5nbj

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Rhenium binding site 4 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 4 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re204

b:30.0
occ:0.36
 NH2 A:ARG125 2.2 56.7 1.0
OD2 A:ASP119 2.6 33.5 1.0
OE1 A:GLN121 3.3 54.7 1.0
OD1 A:ASP119 3.3 32.7 1.0
CG A:ASP119 3.3 30.9 1.0
CZ A:ARG125 3.3 57.3 1.0
NH1 A:ARG125 4.1 58.7 1.0
NE A:ARG125 4.1 54.0 1.0
CD A:GLN121 4.4 52.1 1.0
CB A:ASP119 4.7 28.1 1.0
CB A:GLN121 4.8 36.7 1.0
CG A:GLN121 4.9 45.0 1.0

Rhenium binding site 5 out of 10 in 5nbj

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Rhenium binding site 5 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 5 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re207

b:26.6
occ:0.33
 OD2 A:ASP18 2.1 27.3 1.0
CG A:ASP18 3.0 25.1 1.0
OD1 A:ASP18 3.2 25.5 1.0
CB A:ASP18 4.4 23.7 1.0
NZ A:LYS13 4.9 31.4 1.0
CE A:LYS13 5.0 28.2 1.0
CB A:LEU25 5.0 18.1 1.0

Rhenium binding site 6 out of 10 in 5nbj

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Rhenium binding site 6 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 6 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re209

b:39.1
occ:0.32
 O A:LEU129 2.5 39.3 1.0
OXT A:LEU129 3.3 37.9 1.0
C A:LEU129 3.3 37.1 1.0
NZ A:LYS13 4.4 31.4 1.0
CA A:LEU129 4.7 35.9 1.0

Rhenium binding site 7 out of 10 in 5nbj

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Rhenium binding site 7 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 7 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re210

b:19.2
occ:0.20
 OE1 A:GLU35 2.8 16.8 1.0
O A:HOH304 3.8 44.8 1.0
CD A:GLU35 3.9 15.9 1.0
RE A:RE212 3.9 26.0 0.2
OE2 A:GLU35 4.4 17.5 1.0
OD2 A:ASP52 4.4 23.9 1.0
O A:GLU35 4.5 13.8 1.0
CG A:GLN57 4.6 13.0 1.0
CA A:GLU35 4.6 12.3 1.0
CB A:GLN57 4.7 13.2 1.0
OE1 A:GLN57 4.8 14.0 1.0
O A:PHE34 5.0 18.5 1.0

Rhenium binding site 8 out of 10 in 5nbj

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Rhenium binding site 8 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 8 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re212

b:26.0
occ:0.23
 OD2 A:ASP52 2.1 23.9 1.0
CG A:ASP52 3.1 19.4 1.0
OD1 A:ASP52 3.5 19.8 1.0
RE A:RE210 3.9 19.2 0.2
O A:HOH304 3.9 44.8 1.0
CB A:ASP52 4.3 14.2 1.0
O A:GLN57 4.3 14.2 1.0
OE1 A:GLU35 4.5 16.8 1.0
ND2 A:ASN46 4.6 23.5 1.0
CB A:GLN57 4.9 13.2 1.0

Rhenium binding site 9 out of 10 in 5nbj

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Rhenium binding site 9 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 9 of Dls Tetragonal - Rehewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re213

b:73.8
occ:0.47
 NH2 A:ARG61 2.0 45.3 1.0
CZ A:ARG61 2.6 44.7 1.0
NE A:ARG61 2.7 42.3 1.0
O A:PRO70 3.7 21.2 1.0
NH1 A:ARG61 3.7 46.0 1.0
CD A:ARG61 4.0 36.9 1.0
O A:ASP48 4.3 24.8 1.0
C A:PRO70 4.9 19.3 1.0

Rhenium binding site 10 out of 10 in 5nbj

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Rhenium binding site 10 out of 10 in the Dls Tetragonal - Rehewl


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 10 of Dls Tetragonal - Rehewl within 5.0Å range:

Reference:

A.Brink, J.R.Helliwell. New Leads For Fragment-Based Design of Rhenium/Technetium Radiopharmaceutical Agents. Iucrj V. 4 283 2017.
ISSN: ESSN 2052-2525
PubMed: 28512575
DOI: 10.1107/S2052252517003475
Page generated: Thu Oct 10 12:27:05 2024

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