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Uranium in PDB 1b46: Oligo-Peptide Binding Protein (Oppa) Complexed with Kpk

Protein crystallography data

The structure of Oligo-Peptide Binding Protein (Oppa) Complexed with Kpk, PDB code: 1b46 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 (°) 110.019, 75.478, 70.242, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.7

Uranium Binding Sites:

The binding sites of Uranium atom in the Oligo-Peptide Binding Protein (Oppa) Complexed with Kpk (pdb code 1b46). 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 Kpk, PDB code: 1b46:
Jump to Uranium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Uranium binding site 1 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U518

b:26.3
occ:1.00
O A:ACT527 2.4 20.9 1.0
OD2 A:ASP323 2.4 21.2 1.0
O A:ACT526 2.5 28.9 1.0
CG A:ASP323 3.2 24.2 1.0
CH3 A:ACT527 3.3 26.7 1.0
CH3 A:ACT526 3.4 28.3 1.0
OD1 A:ASP323 3.4 27.3 1.0
C A:ACT527 3.5 27.8 1.0
C A:ACT526 3.5 28.0 1.0
OXT A:ACT527 4.5 24.4 1.0
CB A:ASP323 4.6 21.4 1.0
OXT A:ACT526 4.6 31.2 1.0
O A:HOH678 4.6 34.5 1.0
NZ A:LYS157 4.7 21.6 1.0
O A:HOH570 4.9 24.4 1.0

Uranium binding site 2 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U519

b:32.5
occ:1.00
OXT A:ACT529 2.1 25.5 1.0
O A:ACT528 2.4 18.8 1.0
CH3 A:ACT529 3.2 31.4 1.0
CH3 A:ACT528 3.3 25.6 1.0
C A:ACT528 3.6 25.9 1.0
C A:ACT529 3.6 30.5 1.0
U A:IUM520 4.2 33.5 0.8
O A:ACT529 4.3 33.0 1.0
OXT A:ACT528 4.4 23.0 1.0

Uranium binding site 3 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U520

b:33.5
occ:0.80
OXT A:ACT530 2.4 33.4 1.0
C A:ACT530 3.1 36.3 1.0
CH3 A:ACT530 3.1 37.0 1.0
OD2 A:ASP459 4.0 48.6 1.0
U A:IUM519 4.2 32.5 1.0
O A:ACT530 4.3 35.7 1.0
CG A:ASP459 4.6 48.5 1.0
O A:ACT528 4.7 18.8 1.0
CB A:PRO153 4.9 26.1 1.0
O A:HOH632 4.9 30.0 1.0
OD1 A:ASP459 5.0 49.9 1.0
NH1 A:ARG462 5.0 42.6 1.0

Uranium binding site 4 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U521

b:39.8
occ:0.45
OE2 A:GLU251 2.7 60.4 1.0
OD1 A:ASP369 3.8 31.6 1.0
CD A:GLU251 3.8 60.7 1.0
CG A:GLU251 4.4 61.0 1.0
CG A:ASP369 4.5 31.0 1.0
CE A:LYS373 4.6 41.4 1.0
OE1 A:GLU251 4.7 60.5 1.0
CB A:ASP369 4.9 29.4 1.0
CG2 A:VAL230 4.9 28.8 1.0
NZ A:LYS373 5.0 45.5 1.0

Uranium binding site 5 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U522

b:27.0
occ:0.82
OD2 A:ASP362 2.4 20.0 1.0
OD2 A:ASP410 2.4 20.5 1.0
CG A:ASP362 3.2 20.7 1.0
CG A:ASP410 3.3 23.3 1.0
OD1 A:ASP410 3.6 24.6 1.0
OD1 A:ASP362 3.8 24.8 1.0
NZ A:LYS281 4.0 37.0 1.0
O A:HOH697 4.2 36.0 1.0
CB A:ASP362 4.2 22.1 1.0
N A:ASP362 4.3 25.5 1.0
O A:HOH757 4.5 40.9 1.0
CB A:ASP410 4.6 21.7 1.0
O A:HOH669 4.6 32.9 1.0
CA A:PHE361 4.8 27.6 1.0
CA A:ASP362 4.9 24.5 1.0
C A:PHE361 5.0 25.1 1.0

Uranium binding site 6 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U523

b:55.7
occ:0.55
OXT A:HIS517 2.8 41.0 1.0
O A:HOH580 2.8 25.3 1.0
O A:HIS517 3.5 42.6 1.0
C A:HIS517 3.5 40.3 1.0
U A:IUM524 3.9 61.4 0.3
O A:HOH709 4.6 36.8 1.0
CA A:HIS517 5.0 39.9 1.0
CD2 A:HIS517 5.0 38.9 1.0

Uranium binding site 7 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U524

b:61.4
occ:0.35
U A:IUM523 3.9 55.7 0.6
O A:HOH739 4.7 38.7 1.0
O A:HOH580 4.7 25.3 1.0

Uranium binding site 8 out of 8 in 1b46

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


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 Kpk within 5.0Å range:
probe atom residue distance (Å) B Occ
A:U525

b:63.7
occ:0.66
OD2 A:ASP11 2.5 46.8 1.0
CG A:ASP11 3.5 44.3 1.0
CB A:ASP11 3.8 42.0 1.0
OD1 A:ASP11 4.5 43.1 1.0
NZ A:LYS516 4.9 51.4 1.0

Reference:

S.H.Sleigh, P.R.Seavers, A.J.Wilkinson, J.E.Ladbury, J.R.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 02:29:24 2020

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