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
Go back to
Uranium Binding Sites List in 1b46
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 Sites List in 1b46
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
Go back to
Uranium Binding Sites List in 1b46
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 Sites List in 1b46
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
Go back to
Uranium Binding Sites List in 1b46
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 Sites List in 1b46
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
Go back to
Uranium Binding Sites List in 1b46
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
Go back to
Uranium Binding Sites List in 1b46
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: Fri Oct 11 10:38:47 2024
|