Caesium in PDB 8u8l: X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Protein crystallography data
The structure of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna, PDB code: 8u8l
was solved by
J.Nandakumar,
S.Padmanaban,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
52.98 /
2.20
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
37.05,
116.48,
118.969,
90,
90,
90
|
R / Rfree (%)
|
20.1 /
21.9
|
Caesium Binding Sites:
The binding sites of Caesium atom in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
(pdb code 8u8l). This binding sites where shown within
5.0 Angstroms radius around Caesium atom.
In total 8 binding sites of Caesium where determined in the
X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna, PDB code: 8u8l:
Jump to Caesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Caesium binding site 1 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 1 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 1 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cs501
b:92.9
occ:0.75
|
O
|
A:LYS437
|
3.0
|
27.1
|
1.0
|
O
|
A:ILE439
|
3.2
|
37.1
|
1.0
|
O
|
A:LEU436
|
3.2
|
26.1
|
1.0
|
O
|
A:HOH673
|
3.2
|
53.4
|
1.0
|
OD1
|
A:ASN466
|
3.3
|
41.2
|
1.0
|
O
|
A:HOH607
|
3.5
|
33.4
|
1.0
|
O
|
A:HOH650
|
3.5
|
53.1
|
1.0
|
C
|
A:LYS437
|
3.6
|
37.8
|
1.0
|
CB
|
A:ASN466
|
3.8
|
35.5
|
1.0
|
C
|
A:ILE439
|
3.9
|
37.5
|
1.0
|
O
|
A:LEU467
|
3.9
|
42.2
|
1.0
|
CG
|
A:ASN466
|
4.0
|
38.3
|
1.0
|
CA
|
A:LYS437
|
4.1
|
35.5
|
1.0
|
N
|
A:ILE439
|
4.3
|
35.3
|
1.0
|
C
|
A:LEU436
|
4.3
|
33.6
|
1.0
|
N
|
A:ASN438
|
4.4
|
36.1
|
1.0
|
N
|
A:LEU467
|
4.4
|
34.4
|
1.0
|
N
|
A:GLY440
|
4.5
|
34.7
|
1.0
|
CA
|
A:GLY440
|
4.6
|
30.9
|
1.0
|
N
|
A:LYS437
|
4.7
|
32.0
|
1.0
|
CA
|
A:ASN466
|
4.7
|
35.5
|
1.0
|
CA
|
A:ILE439
|
4.8
|
35.5
|
1.0
|
N
|
A:ILE441
|
4.8
|
31.4
|
1.0
|
CA
|
A:ASN438
|
4.8
|
35.6
|
1.0
|
C
|
A:ASN438
|
4.8
|
35.7
|
1.0
|
C
|
A:ASN466
|
4.8
|
37.4
|
1.0
|
C
|
A:LEU467
|
4.9
|
35.1
|
1.0
|
|
Caesium binding site 2 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 2 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 2 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cs101
b:126.9
occ:0.75
|
O
|
D:HOH231
|
3.1
|
83.6
|
1.0
|
O2
|
D:DT2
|
3.2
|
82.9
|
1.0
|
C2
|
C:DA19
|
3.6
|
79.8
|
1.0
|
O4'
|
D:DG3
|
3.7
|
74.3
|
1.0
|
O2
|
D:DC1
|
3.8
|
99.8
|
1.0
|
N3
|
D:DG3
|
3.8
|
55.6
|
1.0
|
N3
|
C:DA19
|
3.9
|
80.2
|
1.0
|
C2
|
D:DC1
|
4.1
|
99.0
|
1.0
|
N3
|
D:DC1
|
4.2
|
90.5
|
1.0
|
C4
|
D:DG3
|
4.2
|
58.3
|
1.0
|
C2
|
D:DG3
|
4.3
|
58.0
|
1.0
|
N9
|
D:DG3
|
4.4
|
61.4
|
1.0
|
C2
|
D:DT2
|
4.4
|
82.5
|
1.0
|
C1'
|
D:DG3
|
4.4
|
64.0
|
1.0
|
N1
|
C:DA19
|
4.7
|
79.6
|
1.0
|
N2
|
D:DG3
|
4.7
|
61.5
|
1.0
|
C4'
|
D:DG3
|
4.9
|
72.7
|
1.0
|
C5
|
D:DG3
|
4.9
|
59.5
|
1.0
|
|
Caesium binding site 3 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 3 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 3 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cs102
b:131.9
occ:0.75
|
O
|
D:HOH240
|
3.2
|
67.5
|
1.0
|
O2
|
D:DT4
|
3.4
|
44.6
|
1.0
|
O4'
|
D:DT5
|
3.5
|
42.2
|
1.0
|
O2
|
D:DT5
|
3.6
|
38.5
|
1.0
|
C4'
|
D:DT5
|
3.9
|
45.5
|
1.0
|
C2
|
C:DA17
|
4.0
|
52.9
|
1.0
|
C1'
|
D:DT5
|
4.2
|
39.8
|
1.0
|
N3
|
C:DA17
|
4.3
|
61.0
|
1.0
|
C2
|
D:DT5
|
4.5
|
41.0
|
1.0
|
C2
|
D:DT4
|
4.5
|
45.8
|
1.0
|
O
|
D:HOH224
|
4.6
|
53.4
|
1.0
|
C5'
|
D:DT5
|
4.6
|
46.3
|
1.0
|
N1
|
D:DT5
|
4.8
|
41.2
|
1.0
|
O4'
|
D:DA6
|
4.8
|
50.5
|
1.0
|
O2
|
C:DC18
|
4.9
|
77.4
|
1.0
|
N1
|
C:DA17
|
5.0
|
50.6
|
1.0
|
|
Caesium binding site 4 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 4 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 4 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cs103
b:128.3
occ:0.75
|
O
|
D:HOH238
|
3.1
|
57.9
|
1.0
|
O
|
D:HOH234
|
3.1
|
47.8
|
1.0
|
N3
|
D:DG14
|
3.5
|
32.5
|
1.0
|
O2
|
C:DC8
|
3.7
|
29.1
|
1.0
|
N2
|
D:DG14
|
3.8
|
30.9
|
1.0
|
O4'
|
C:DT9
|
3.9
|
33.9
|
1.0
|
C2
|
D:DG14
|
4.0
|
32.9
|
1.0
|
N2
|
D:DG13
|
4.0
|
31.4
|
1.0
|
O4'
|
D:DC15
|
4.3
|
39.9
|
1.0
|
C4
|
D:DG14
|
4.4
|
33.8
|
1.0
|
C1'
|
D:DG14
|
4.5
|
37.6
|
1.0
|
O4'
|
D:DG14
|
4.5
|
38.1
|
1.0
|
C4'
|
C:DT9
|
4.5
|
34.1
|
1.0
|
C5'
|
D:DC15
|
4.7
|
38.1
|
1.0
|
C4'
|
D:DC15
|
4.8
|
43.8
|
1.0
|
N9
|
D:DG14
|
4.8
|
34.3
|
1.0
|
C2
|
C:DC8
|
4.9
|
31.6
|
1.0
|
C1'
|
C:DC8
|
4.9
|
38.2
|
1.0
|
C1'
|
C:DT9
|
4.9
|
32.6
|
1.0
|
|
Caesium binding site 5 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 5 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 5 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cs101
b:121.8
occ:0.75
|
O2
|
C:DT15
|
3.0
|
51.2
|
1.0
|
O
|
D:HOH237
|
3.0
|
57.9
|
1.0
|
O
|
C:HOH235
|
3.1
|
76.3
|
1.0
|
O4'
|
C:DA16
|
3.2
|
69.9
|
1.0
|
O
|
D:HOH236
|
3.3
|
50.2
|
1.0
|
C4'
|
C:DA16
|
3.6
|
70.8
|
1.0
|
O
|
C:HOH208
|
3.6
|
55.2
|
1.0
|
C5'
|
C:DA16
|
3.7
|
70.3
|
1.0
|
C2
|
C:DT15
|
4.1
|
46.4
|
1.0
|
C1'
|
C:DT15
|
4.3
|
56.4
|
1.0
|
C1'
|
C:DA16
|
4.5
|
64.8
|
1.0
|
N2
|
D:DG7
|
4.5
|
39.8
|
1.0
|
N1
|
C:DT15
|
4.8
|
50.9
|
1.0
|
C2
|
D:DA6
|
4.8
|
41.0
|
1.0
|
N3
|
D:DG7
|
4.9
|
40.8
|
1.0
|
O4'
|
C:DT15
|
4.9
|
58.8
|
1.0
|
N9
|
C:DA16
|
4.9
|
58.9
|
1.0
|
O3'
|
C:DT15
|
5.0
|
70.6
|
1.0
|
|
Caesium binding site 6 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 6 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 6 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cs102
b:134.1
occ:0.75
|
O2
|
C:DT3
|
3.1
|
49.1
|
1.0
|
O
|
C:HOH233
|
3.2
|
48.2
|
1.0
|
O
|
C:HOH232
|
3.6
|
54.7
|
1.0
|
O
|
D:HOH232
|
3.7
|
38.7
|
1.0
|
N3
|
D:DG19
|
3.7
|
42.3
|
1.0
|
O4'
|
D:DG19
|
4.0
|
44.8
|
1.0
|
O4'
|
C:DA4
|
4.0
|
39.5
|
1.0
|
O
|
D:HOH243
|
4.1
|
43.9
|
1.0
|
C2
|
D:DA18
|
4.2
|
39.4
|
1.0
|
N2
|
D:DG19
|
4.2
|
40.9
|
1.0
|
C2
|
C:DT3
|
4.3
|
43.0
|
1.0
|
C2
|
D:DG19
|
4.3
|
41.8
|
1.0
|
C4'
|
C:DA4
|
4.4
|
38.5
|
1.0
|
C1'
|
D:DG19
|
4.4
|
45.2
|
1.0
|
C4
|
D:DG19
|
4.5
|
38.5
|
1.0
|
C5'
|
C:DA4
|
4.6
|
39.0
|
1.0
|
N3
|
D:DA18
|
4.8
|
40.1
|
1.0
|
N9
|
D:DG19
|
4.8
|
37.1
|
1.0
|
O
|
A:HOH633
|
4.8
|
34.8
|
1.0
|
C1'
|
C:DT3
|
5.0
|
44.1
|
1.0
|
CE
|
A:LYS359
|
5.0
|
52.9
|
1.0
|
|
Caesium binding site 7 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 7 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 7 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs501
b:55.9
occ:0.75
|
O
|
B:LYS437
|
2.9
|
43.1
|
1.0
|
O
|
B:LEU467
|
3.3
|
38.5
|
1.0
|
O
|
B:LEU436
|
3.3
|
35.4
|
1.0
|
O
|
B:HOH619
|
3.4
|
32.3
|
1.0
|
N
|
B:GLY440
|
3.4
|
38.0
|
1.0
|
CA
|
B:GLY440
|
3.4
|
41.1
|
1.0
|
C
|
B:LYS437
|
3.6
|
36.9
|
1.0
|
O
|
B:HOH662
|
3.7
|
49.1
|
1.0
|
N
|
B:LEU467
|
3.9
|
35.0
|
1.0
|
CA
|
B:LYS437
|
4.0
|
38.9
|
1.0
|
C
|
B:LEU467
|
4.2
|
37.3
|
1.0
|
CB
|
B:ASN466
|
4.2
|
33.6
|
1.0
|
C
|
B:LEU436
|
4.4
|
37.2
|
1.0
|
CA
|
B:LEU467
|
4.4
|
35.7
|
1.0
|
ND2
|
B:ASN466
|
4.4
|
46.2
|
1.0
|
N
|
B:ASN438
|
4.5
|
37.1
|
1.0
|
C
|
B:ILE439
|
4.5
|
45.8
|
1.0
|
CB
|
B:LEU467
|
4.5
|
35.2
|
1.0
|
N
|
B:ILE439
|
4.6
|
42.5
|
1.0
|
C
|
B:GLY440
|
4.6
|
42.9
|
1.0
|
C
|
B:ASN466
|
4.7
|
35.9
|
1.0
|
N
|
B:ILE441
|
4.7
|
40.4
|
1.0
|
CG
|
B:ASN466
|
4.7
|
38.1
|
1.0
|
N
|
B:LYS437
|
4.7
|
38.7
|
1.0
|
CA
|
B:ASN466
|
4.8
|
31.0
|
1.0
|
CA
|
B:ASN438
|
4.9
|
33.3
|
1.0
|
C
|
B:ASN438
|
4.9
|
39.3
|
1.0
|
|
Caesium binding site 8 out
of 8 in 8u8l
Go back to
Caesium Binding Sites List in 8u8l
Caesium binding site 8 out
of 8 in the X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna
Mono view
Stereo pair view
|
A full contact list of Caesium with other atoms in the Cs binding
site number 8 of X-Ray Crystal Structure of Tebp-2 MCD3 with Ds Dna within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs502
b:203.7
occ:0.75
|
O
|
B:THR401
|
3.5
|
62.4
|
1.0
|
O
|
B:ARG402
|
3.6
|
69.0
|
1.0
|
O
|
B:HOH651
|
3.7
|
66.4
|
1.0
|
C
|
B:ARG402
|
4.2
|
64.3
|
1.0
|
CA
|
B:SER403
|
4.3
|
54.6
|
1.0
|
N
|
B:SER403
|
4.5
|
62.4
|
1.0
|
C
|
B:THR401
|
4.7
|
54.6
|
1.0
|
|
Reference:
S.Padmanaban,
N.J.Lambacher,
V.M.Tesmer,
J.Zhang,
H.Shibuya,
J.Nandakumar.
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ISSN: ESSN 1091-6490
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