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Uranium in PDB 1b3h: Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine

Protein crystallography data

The structure of Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine, PDB code: 1b3h was solved by T.G.Davies, J.R.H.Tame, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 109.673, 75.574, 70.187, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24

Uranium Binding Sites:

The binding sites of Uranium atom in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine (pdb code 1b3h). 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 Complexed with Lysyl- Cyclohexylalanyl-Lysine, PDB code: 1b3h:
Jump to Uranium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Uranium binding site 1 out of 8 in 1b3h

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Uranium binding site 1 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U518

b:31.8
occ:0.88
OD2 A:ASP323 2.4 27.4 1.0
CG A:ASP323 3.2 32.6 1.0
OD1 A:ASP323 3.5 31.0 1.0
CB A:ASP323 4.7 31.0 1.0
NZ A:LYS157 4.9 27.4 1.0
O A:HOH710 5.0 46.5 1.0

Uranium binding site 2 out of 8 in 1b3h

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Uranium binding site 2 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U519

b:37.2
occ:0.85
U A:U1520 4.2 38.2 0.8

Uranium binding site 3 out of 8 in 1b3h

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Uranium binding site 3 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U520

b:38.2
occ:0.81
U A:U1519 4.2 37.2 0.8
OD1 A:ASP459 4.2 60.6 1.0
OD2 A:ASP459 4.5 61.0 1.0
CG A:ASP459 4.6 59.0 1.0
CB A:PRO153 4.9 35.2 1.0

Uranium binding site 4 out of 8 in 1b3h

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Uranium binding site 4 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U521

b:34.7
occ:0.60
OE1 A:GLU251 2.5 42.2 1.0
OD2 A:ASP369 3.2 48.2 1.0
CD A:GLU251 3.7 46.9 1.0
CG A:ASP369 4.1 46.3 1.0
NZ A:LYS373 4.2 52.7 0.0
CG A:GLU251 4.4 46.4 1.0
OE2 A:GLU251 4.5 45.5 1.0
CG2 A:VAL230 4.6 37.4 1.0
CB A:ASP369 4.8 42.9 1.0
OD1 A:ASP369 4.9 47.1 1.0
CE A:LYS373 5.0 51.4 0.0

Uranium binding site 5 out of 8 in 1b3h

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Uranium binding site 5 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U522

b:34.9
occ:0.86
OD1 A:ASP362 2.3 25.0 1.0
OD1 A:ASP410 2.5 28.0 1.0
CG A:ASP362 3.2 28.9 1.0
CG A:ASP410 3.3 29.7 1.0
OD2 A:ASP410 3.5 31.1 1.0
OD2 A:ASP362 3.8 28.2 1.0
NZ A:LYS281 4.0 42.9 1.0
N A:ASP362 4.2 30.1 1.0
CB A:ASP362 4.3 28.9 1.0
O A:HOH583 4.4 34.0 1.0
CB A:ASP410 4.7 27.4 1.0
CA A:PHE361 4.8 35.2 1.0
C A:PHE361 4.9 33.6 1.0
CA A:ASP362 4.9 30.8 1.0

Uranium binding site 6 out of 8 in 1b3h

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Uranium binding site 6 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U523

b:20.1
occ:0.31
OXT A:HIS517 2.7 41.3 1.0
O A:HIS517 2.9 44.3 1.0
C A:HIS517 3.2 41.5 1.0
U A:U1524 4.1 15.6 0.2
CA A:HIS517 4.7 40.7 1.0

Uranium binding site 7 out of 8 in 1b3h

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Uranium binding site 7 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U524

b:15.6
occ:0.23
U A:U1523 4.1 20.1 0.3

Uranium binding site 8 out of 8 in 1b3h

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Uranium binding site 8 out of 8 in the Oligo-Peptide Binding Protein Complexed with Lysyl- Cyclohexylalanyl-Lysine


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 Complexed with Lysyl- Cyclohexylalanyl-Lysine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U525

b:30.9
occ:0.46
OD2 A:ASP11 2.2 37.7 1.0
CG A:ASP11 3.2 37.6 1.0
CB A:ASP11 3.7 36.8 1.0
OD1 A:ASP11 4.3 37.6 1.0
O A:HOH716 4.9 47.4 1.0

Reference:

T.G.Davies, R.E.Hubbard, J.R.Tame. Relating Structure to Thermodynamics: the Crystal Structures and Binding Affinity of Eight Oppa-Peptide Complexes. Protein Sci. V. 8 1432 1999.
ISSN: ISSN 0961-8368
PubMed: 10422831
Page generated: Wed Dec 16 02:29:18 2020

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