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Uranium in PDB 1qkb: Oligo-Peptide Binding Protein (Oppa) Complexed with Kvk

Protein crystallography data

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

Resolution Low / High (Å) 15.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 109.730, 75.780, 70.270, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.5

Uranium Binding Sites:

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

Uranium binding site 1 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U601

b:9.8
occ:0.83
OD2 A:ASP323 2.3 9.9 1.0
O A:ACT611 2.4 8.3 1.0
O A:ACT610 2.4 14.8 1.0
CG A:ASP323 3.2 11.3 1.0
C A:ACT611 3.2 12.2 1.0
C A:ACT610 3.3 11.7 1.0
OD1 A:ASP323 3.5 12.7 1.0
CH3 A:ACT611 3.5 13.7 1.0
CH3 A:ACT610 3.5 12.7 1.0
O A:HOH724 3.9 26.4 1.0
O A:HOH1016 4.2 29.2 1.0
O A:HOH1021 4.3 36.5 1.0
OXT A:ACT611 4.5 12.2 1.0
OXT A:ACT610 4.5 16.2 1.0
CB A:ASP323 4.6 12.1 1.0
NZ A:LYS157 4.7 10.7 1.0
O A:HOH1073 4.9 22.9 1.0

Uranium binding site 2 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U602

b:14.1
occ:0.85
O A:ACT613 2.1 18.6 1.0
O A:ACT612 2.4 11.9 1.0
O A:HOH704 2.4 14.0 1.0
O A:HOH736 2.5 12.0 1.0
C A:ACT613 3.2 19.6 1.0
C A:ACT612 3.3 16.5 1.0
CH3 A:ACT613 3.5 17.0 1.0
CH3 A:ACT612 3.7 16.6 1.0
U A:IUM603 4.2 14.9 0.8
O A:HOH916 4.2 12.6 1.0
OXT A:ACT613 4.3 21.9 1.0
OXT A:ACT612 4.5 14.3 1.0
O A:HOH1024 4.5 28.6 1.0
O A:ACT615 4.6 17.1 1.0
O A:HOH716 4.6 30.7 1.0
O A:HOH737 4.8 13.9 1.0
O A:HOH1016 4.9 29.2 1.0

Uranium binding site 3 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U603

b:14.9
occ:0.81
O A:HOH704 2.4 14.0 1.0
O A:ACT615 2.4 17.1 1.0
O A:HOH737 2.4 13.9 1.0
O A:ACT614 2.5 19.2 1.0
C A:ACT615 3.3 22.8 1.0
C A:ACT614 3.4 21.6 1.0
CH3 A:ACT615 3.5 22.7 1.0
CH3 A:ACT614 3.6 22.4 1.0
U A:IUM602 4.2 14.1 0.8
OD1 A:ASP459 4.3 36.1 1.0
OD2 A:ASP459 4.3 35.8 1.0
OXT A:ACT615 4.5 22.2 1.0
O A:HOH716 4.5 30.7 1.0
CG A:ASP459 4.5 34.9 1.0
OXT A:ACT614 4.6 20.1 1.0
O A:HOH736 4.6 12.0 1.0
O A:ACT612 4.7 11.9 1.0
O A:HOH878 4.9 23.8 1.0
CB A:PRO153 4.9 13.3 1.0
O A:HOH1024 4.9 28.6 1.0

Uranium binding site 4 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U604

b:16.4
occ:0.66
OE2 A:GLU251 2.3 24.6 1.0
OXT A:ACT609 2.4 18.4 1.0
OD1 A:ASP369 2.5 28.2 1.0
O A:HOH1096 2.8 22.6 1.0
CH3 A:ACT609 3.1 20.4 1.0
C A:ACT609 3.1 22.0 1.0
CD A:GLU251 3.5 27.2 1.0
CG A:ASP369 3.7 27.0 1.0
CG A:GLU251 4.3 26.6 1.0
OE1 A:GLU251 4.4 26.3 1.0
O A:ACT609 4.4 22.8 1.0
OD2 A:ASP369 4.5 30.9 1.0
O A:HOH920 4.7 35.4 1.0
CG2 A:VAL230 4.7 16.2 1.0
CB A:ASP369 4.8 23.3 1.0

Uranium binding site 5 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U605

b:16.4
occ:0.87
OD2 A:ASP362 2.3 8.1 1.0
OD2 A:ASP410 2.4 12.5 1.0
CG A:ASP362 3.2 11.9 1.0
CG A:ASP410 3.4 14.4 1.0
OD1 A:ASP410 3.7 17.4 1.0
OD1 A:ASP362 3.8 12.9 1.0
NZ A:LYS281 4.0 33.0 1.0
N A:ASP362 4.2 14.2 1.0
CB A:ASP362 4.3 12.9 1.0
O A:HOH722 4.6 19.5 1.0
CB A:ASP410 4.7 13.1 1.0
CA A:PHE361 4.8 16.8 1.0
C A:PHE361 4.9 16.2 1.0
CA A:ASP362 4.9 13.6 1.0

Uranium binding site 6 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U606

b:26.2
occ:0.41
OXT A:HIS517 2.7 21.7 1.0
C A:HIS517 3.6 21.0 1.0
O A:HIS517 3.7 22.3 1.0
O A:HOH709 3.8 31.4 1.0
U A:IUM607 4.1 27.5 0.4
O A:HOH975 4.7 24.6 1.0

Uranium binding site 7 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U607

b:27.5
occ:0.36
U A:IUM606 4.1 26.2 0.4
O A:HOH1076 4.5 23.9 1.0
O A:HOH1123 4.9 31.0 1.0

Uranium binding site 8 out of 8 in 1qkb

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


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 Kvk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U608

b:31.0
occ:0.44
OD2 A:ASP11 2.5 31.4 1.0
CG A:ASP11 3.6 28.3 1.0
CB A:ASP11 3.9 25.2 1.0
OD1 A:ASP11 4.6 28.2 1.0

Reference:

S.H.Sleigh, P.R.Seavers, A.J.Wilkinson, J.E.Ladbury, J.R.H.Tame. Crystallographic and Calorimetric Analysis of Peptide Binding to Oppa Protein J.Mol.Biol. V. 291 393 1999.
ISSN: ISSN 0022-2836
PubMed: 10438628
DOI: 10.1006/JMBI.1999.2929
Page generated: Wed Dec 16 02:29:36 2020

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