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Uranium in PDB 1jeu: Oligo-Peptide Binding Protein (Oppa) Complexed with Kek

Protein crystallography data

The structure of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek, PDB code: 1jeu was solved by J.Tame, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 111.410, 76.410, 71.250, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 25.2

Uranium Binding Sites:

The binding sites of Uranium atom in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek (pdb code 1jeu). This binding sites where shown within 5.0 Angstroms radius around Uranium atom.
In total 8 binding sites of Uranium where determined in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek, PDB code: 1jeu:
Jump to Uranium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Uranium binding site 1 out of 8 in 1jeu

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Uranium binding site 1 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 1 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U518

b:13.9
occ:1.00
O A:HOH526 1.2 8.8 1.0
O A:HOH527 2.0 17.4 1.0
OD2 A:ASP323 2.5 13.9 1.0
O A:HOH929 2.5 8.8 0.8
O A:HOH934 2.8 9.4 0.5
O A:HOH931 3.3 15.2 0.8
CG A:ASP323 3.3 11.5 1.0
OD1 A:ASP323 3.4 15.2 1.0
O A:HOH936 4.4 17.2 0.5
O A:HOH603 4.5 14.0 1.0
O A:HOH711 4.7 21.1 1.0
CB A:ASP323 4.7 9.8 1.0
O A:HOH662 4.8 17.5 1.0
NZ A:LYS157 4.9 10.2 1.0
O A:HOH912 5.0 59.5 1.0
O A:HOH584 5.0 12.5 1.0

Uranium binding site 2 out of 8 in 1jeu

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Uranium binding site 2 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 2 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U519

b:15.9
occ:1.00
O A:HOH528 1.7 18.4 1.0
O A:HOH676 1.9 18.9 1.0
O A:HOH529 2.4 15.1 1.0
O A:HOH930 2.5 9.3 0.8
O A:HOH678 2.7 19.2 1.0
O A:HOH531 3.3 49.7 1.0
O A:HOH782 3.4 27.3 1.0
O A:HOH679 3.5 19.4 1.0
O A:HOH530 3.8 1.9 1.0
U A:IUM520 4.2 19.1 1.0
O A:HOH927 4.5 20.3 0.9
O A:HOH662 4.5 17.5 1.0
O A:HOH575 4.6 11.9 1.0
O A:HOH928 4.9 2.4 0.8
O A:HOH622 4.9 15.3 1.0

Uranium binding site 3 out of 8 in 1jeu

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Uranium binding site 3 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 3 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U520

b:19.1
occ:1.00
O A:HOH530 1.2 1.9 1.0
O A:HOH928 1.4 2.4 0.8
O A:HOH531 2.5 49.7 1.0
O A:HOH528 2.9 18.4 1.0
O A:HOH769 3.3 26.0 1.0
O A:HOH822 3.6 31.7 1.0
OD2 A:ASP459 4.0 37.6 1.0
O A:HOH722 4.2 21.8 1.0
O A:HOH885 4.2 44.3 1.0
U A:IUM519 4.2 15.9 1.0
O A:HOH930 4.7 9.3 0.8
CG A:ASP459 4.7 32.4 1.0
CB A:PRO153 4.8 12.7 1.0
O A:HOH624 4.8 15.4 1.0
NH1 A:ARG462 4.9 18.8 1.0
OD1 A:ASP459 4.9 35.4 1.0
O A:HOH678 4.9 19.2 1.0

Uranium binding site 4 out of 8 in 1jeu

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Uranium binding site 4 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 4 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U521

b:32.0
occ:0.40
O A:HOH832 3.1 33.1 1.0
OE2 A:GLU251 3.5 67.7 1.0
OD1 A:ASP369 3.7 19.1 1.0
O A:HOH901 3.8 51.4 1.0
O A:HOH910 3.9 58.6 1.0
CD A:GLU251 4.2 67.6 1.0
CE A:LYS373 4.5 34.5 1.0
CG A:GLU251 4.5 66.5 1.0
CG A:ASP369 4.5 15.5 1.0
NZ A:LYS373 4.9 37.9 1.0
O A:HOH919 4.9 64.1 1.0
OE1 A:GLU251 5.0 66.4 1.0

Uranium binding site 5 out of 8 in 1jeu

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Uranium binding site 5 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 5 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U522

b:15.9
occ:1.00
O A:HOH533 1.2 5.2 1.0
O A:HOH532 1.4 11.9 1.0
OD2 A:ASP362 2.4 12.5 1.0
OD2 A:ASP410 2.4 11.3 1.0
CG A:ASP362 3.4 13.6 1.0
CG A:ASP410 3.4 11.8 1.0
O A:HOH795 3.6 28.7 1.0
OD1 A:ASP410 3.6 13.3 1.0
OD1 A:ASP362 3.9 14.6 1.0
NZ A:LYS281 4.2 32.5 1.0
N A:ASP362 4.4 11.1 1.0
CB A:ASP362 4.4 12.7 1.0
O A:HOH671 4.5 18.4 1.0
O A:HOH877 4.6 41.8 1.0
CB A:ASP410 4.7 9.1 1.0
CA A:PHE361 4.9 12.3 1.0

Uranium binding site 6 out of 8 in 1jeu

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Uranium binding site 6 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 6 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U523

b:30.1
occ:0.60
O A:HOH935 1.9 16.8 0.5
OXT A:HIS517 2.9 23.5 1.0
O A:HOH933 3.2 6.4 0.5
O A:HIS517 3.3 25.7 1.0
C A:HIS517 3.5 23.0 1.0
O A:HOH932 4.1 56.0 0.8
U A:IUM524 4.2 46.1 0.6
O A:HOH710 4.9 21.0 1.0

Uranium binding site 7 out of 8 in 1jeu

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Uranium binding site 7 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 7 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U524

b:46.1
occ:0.60
O A:HOH933 1.9 6.4 0.5
O A:HOH938 3.3 35.4 0.5
O A:HOH900 3.5 49.4 1.0
O A:HOH937 4.1 34.3 0.5
U A:IUM523 4.2 30.1 0.6
O A:HOH935 4.7 16.8 0.5
O A:HOH768 4.9 26.0 1.0

Uranium binding site 8 out of 8 in 1jeu

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Uranium binding site 8 out of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kek


Mono view


Stereo pair view

A full contact list of Uranium with other atoms in the U binding site number 8 of Oligo-Peptide Binding Protein (Oppa) Complexed with Kek within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U525

b:39.2
occ:0.80
OD2 A:ASP11 2.9 37.2 1.0
O A:HOH897 3.5 47.5 1.0
CG A:ASP11 3.6 30.8 1.0
O A:HOH889 3.7 45.6 1.0
CB A:ASP11 3.9 26.6 1.0
OD1 A:ASP11 4.5 31.4 1.0
O A:HOH758 4.7 25.4 1.0
O A:HOH823 4.7 31.9 1.0
O A:HOH900 5.0 49.4 1.0

Reference:

J.R.Tame, S.H.Sleigh, A.J.Wilkinson, J.E.Ladbury. The Role of Water in Sequence-Independent Ligand Binding By An Oligopeptide Transporter Protein. Nat.Struct.Biol. V. 3 998 1996.
ISSN: ISSN 1072-8368
PubMed: 8946852
DOI: 10.1038/NSB1296-998
Page generated: Thu Oct 29 07:03:32 2020

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