Uranium in PDB 1b3f: Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
Protein crystallography data
The structure of Oligo-Peptide Binding Protein (Oppa) Complexed with Khk, PDB code: 1b3f
was solved by
J.R.H.Tame,
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 (°)
|
109.936,
75.892,
70.594,
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 Khk
(pdb code 1b3f). 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 Khk, PDB code: 1b3f:
Jump to Uranium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Uranium binding site 1 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 1 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U518
b:17.6
occ:0.88
|
O
|
A:HOH609
|
2.2
|
22.5
|
1.0
|
OD2
|
A:ASP323
|
2.3
|
18.9
|
1.0
|
O
|
A:HOH537
|
2.4
|
16.4
|
1.0
|
CG
|
A:ASP323
|
3.2
|
19.1
|
1.0
|
OD1
|
A:ASP323
|
3.5
|
19.7
|
1.0
|
O
|
A:HOH923
|
4.2
|
44.2
|
1.0
|
O
|
A:HOH630
|
4.4
|
24.2
|
1.0
|
CB
|
A:ASP323
|
4.6
|
17.9
|
1.0
|
NZ
|
A:LYS157
|
4.8
|
18.6
|
1.0
|
O
|
A:HOH774
|
4.9
|
32.4
|
1.0
|
O
|
A:HOH705
|
4.9
|
28.6
|
1.0
|
|
Uranium binding site 2 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 2 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U519
b:22.2
occ:0.84
|
O
|
A:HOH579
|
2.4
|
20.1
|
1.0
|
O
|
A:HOH553
|
2.5
|
18.0
|
1.0
|
O
|
A:HOH620
|
2.6
|
23.1
|
1.0
|
O
|
A:HOH751
|
3.7
|
31.0
|
1.0
|
U
|
A:IUM520
|
4.2
|
22.5
|
0.8
|
O
|
A:HOH774
|
4.3
|
32.4
|
1.0
|
O
|
A:HOH570
|
4.4
|
19.2
|
1.0
|
O
|
A:HOH588
|
4.6
|
20.7
|
1.0
|
O
|
A:HOH896
|
4.7
|
40.4
|
1.0
|
O
|
A:HOH640
|
4.7
|
24.8
|
1.0
|
|
Uranium binding site 3 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 3 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U520
b:22.5
occ:0.76
|
O
|
A:HOH588
|
2.3
|
20.7
|
1.0
|
O
|
A:HOH651
|
2.4
|
25.4
|
1.0
|
O
|
A:HOH640
|
2.5
|
24.8
|
1.0
|
O
|
A:HOH605
|
2.5
|
22.3
|
1.0
|
OD2
|
A:ASP459
|
4.1
|
43.3
|
1.0
|
U
|
A:IUM519
|
4.2
|
22.2
|
0.8
|
OD1
|
A:ASP459
|
4.2
|
42.0
|
1.0
|
CG
|
A:ASP459
|
4.4
|
41.5
|
1.0
|
O
|
A:HOH659
|
4.4
|
25.9
|
1.0
|
O
|
A:HOH692
|
4.6
|
27.8
|
1.0
|
O
|
A:HOH896
|
4.6
|
40.4
|
1.0
|
O
|
A:HOH553
|
4.6
|
18.0
|
1.0
|
O
|
A:HOH579
|
4.6
|
20.1
|
1.0
|
O
|
A:HOH774
|
4.9
|
32.4
|
1.0
|
O
|
A:HOH746
|
4.9
|
30.6
|
1.0
|
CB
|
A:PRO153
|
5.0
|
22.2
|
1.0
|
NH1
|
A:ARG462
|
5.0
|
38.3
|
1.0
|
|
Uranium binding site 4 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 4 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U521
b:23.5
occ:0.62
|
OE2
|
A:GLU251
|
2.4
|
35.6
|
1.0
|
O
|
A:HOH617
|
2.4
|
23.0
|
1.0
|
O
|
A:HOH840
|
2.6
|
36.2
|
1.0
|
OD1
|
A:ASP369
|
3.1
|
33.1
|
1.0
|
CD
|
A:GLU251
|
3.6
|
36.5
|
1.0
|
CG
|
A:ASP369
|
4.2
|
31.9
|
1.0
|
NZ
|
A:LYS373
|
4.3
|
36.4
|
1.0
|
CG
|
A:GLU251
|
4.3
|
35.8
|
1.0
|
OE1
|
A:GLU251
|
4.4
|
36.8
|
1.0
|
CE
|
A:LYS373
|
4.6
|
34.6
|
1.0
|
CG2
|
A:VAL230
|
4.6
|
21.0
|
1.0
|
CB
|
A:ASP369
|
4.9
|
28.8
|
1.0
|
|
Uranium binding site 5 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 5 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U522
b:22.9
occ:0.89
|
OD2
|
A:ASP362
|
2.4
|
16.1
|
1.0
|
O
|
A:HOH595
|
2.4
|
21.1
|
1.0
|
OD2
|
A:ASP410
|
2.4
|
17.6
|
1.0
|
CG
|
A:ASP362
|
3.3
|
19.7
|
1.0
|
CG
|
A:ASP410
|
3.4
|
20.3
|
1.0
|
OD1
|
A:ASP410
|
3.8
|
22.2
|
1.0
|
OD1
|
A:ASP362
|
3.9
|
21.3
|
1.0
|
NZ
|
A:LYS281
|
4.1
|
30.0
|
1.0
|
CB
|
A:ASP362
|
4.3
|
17.6
|
1.0
|
N
|
A:ASP362
|
4.4
|
19.8
|
1.0
|
O
|
A:HOH633
|
4.6
|
24.4
|
1.0
|
CB
|
A:ASP410
|
4.7
|
18.8
|
1.0
|
O
|
A:HOH937
|
4.8
|
46.5
|
1.0
|
CA
|
A:PHE361
|
4.9
|
19.8
|
1.0
|
|
Uranium binding site 6 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 6 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U523
b:27.6
occ:0.49
|
OXT
|
A:HIS517
|
2.6
|
24.8
|
1.0
|
O
|
A:HIS517
|
3.2
|
29.6
|
1.0
|
C
|
A:HIS517
|
3.3
|
26.3
|
1.0
|
U
|
A:IUM524
|
4.1
|
31.8
|
0.5
|
O
|
A:HOH797
|
4.7
|
33.8
|
1.0
|
CA
|
A:HIS517
|
4.8
|
25.8
|
1.0
|
|
Uranium binding site 7 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 7 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U524
b:31.8
occ:0.49
|
U
|
A:IUM523
|
4.1
|
27.6
|
0.5
|
O
|
A:HOH805
|
4.6
|
34.2
|
1.0
|
O
|
A:HOH838
|
4.9
|
36.1
|
1.0
|
|
Uranium binding site 8 out
of 8 in 1b3f
Go back to
Uranium Binding Sites List in 1b3f
Uranium binding site 8 out
of 8 in the Oligo-Peptide Binding Protein (Oppa) Complexed with Khk
 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 Khk within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:U525
b:31.4
occ:0.49
|
OD2
|
A:ASP11
|
2.3
|
33.1
|
1.0
|
CG
|
A:ASP11
|
3.4
|
31.6
|
1.0
|
CB
|
A:ASP11
|
3.8
|
28.6
|
1.0
|
OD1
|
A:ASP11
|
4.5
|
31.1
|
1.0
|
O
|
A:HOH787
|
5.0
|
33.2
|
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 10:36:21 2024
|