Iodine in PDB 6yr6: 14-3-3 Sigma in Complex with HDM2-186 Peptide
Protein crystallography data
The structure of 14-3-3 Sigma in Complex with HDM2-186 Peptide, PDB code: 6yr6
was solved by
M.Wolter,
S.Srdanovic,
S.Warriner,
A.Wilson,
C.Ottmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
56.90 /
1.75
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.225,
74.569,
77.973,
98.43,
111.09,
93.12
|
|
R / Rfree (%)
|
19.9 /
22.4
|
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Iodine atom in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
(pdb code 6yr6). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 11 binding sites of Iodine where determined in the
14-3-3 Sigma in Complex with HDM2-186 Peptide, PDB code: 6yr6:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 1 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I301
b:85.5
occ:1.00
|
HE2
|
A:MET220
|
3.4
|
65.8
|
1.0
|
|
HG22
|
A:THR217
|
3.7
|
54.3
|
1.0
|
|
HB2
|
A:MET220
|
3.7
|
55.3
|
1.0
|
|
HE1
|
A:PHE198
|
3.8
|
67.4
|
1.0
|
|
HB
|
A:THR217
|
3.8
|
56.5
|
1.0
|
|
HE1
|
A:MET202
|
3.8
|
66.6
|
1.0
|
|
HZ
|
A:PHE198
|
3.8
|
65.3
|
1.0
|
|
HB3
|
A:MET220
|
3.9
|
55.3
|
1.0
|
|
HA
|
A:THR217
|
4.1
|
50.8
|
1.0
|
|
HD11
|
A:LEU205
|
4.2
|
77.9
|
1.0
|
|
CE
|
A:MET220
|
4.2
|
54.9
|
1.0
|
|
CB
|
A:MET220
|
4.3
|
46.1
|
1.0
|
|
CE1
|
A:PHE198
|
4.3
|
56.2
|
1.0
|
|
HE1
|
A:MET220
|
4.4
|
65.8
|
1.0
|
|
CZ
|
A:PHE198
|
4.4
|
54.4
|
1.0
|
|
CG2
|
A:THR217
|
4.4
|
45.3
|
1.0
|
|
HE2
|
A:MET202
|
4.4
|
66.6
|
1.0
|
|
CB
|
A:THR217
|
4.4
|
47.1
|
1.0
|
|
O
|
A:THR217
|
4.5
|
42.8
|
1.0
|
|
CE
|
A:MET202
|
4.5
|
55.5
|
1.0
|
|
HG21
|
A:THR217
|
4.6
|
54.3
|
1.0
|
|
CA
|
A:THR217
|
4.7
|
42.3
|
1.0
|
|
HA
|
A:GLN221
|
4.8
|
54.0
|
1.0
|
|
CD1
|
A:LEU205
|
4.8
|
64.9
|
1.0
|
|
HD12
|
A:LEU205
|
4.8
|
77.9
|
1.0
|
|
HD13
|
A:LEU205
|
4.8
|
77.9
|
1.0
|
|
H
|
A:GLN221
|
4.8
|
44.2
|
1.0
|
|
N
|
A:GLN221
|
4.8
|
36.9
|
1.0
|
|
SD
|
A:MET220
|
4.8
|
48.9
|
1.0
|
|
HE3
|
A:MET220
|
5.0
|
65.8
|
1.0
|
|
Iodine binding site 2 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 2 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I302
b:27.7
occ:1.00
|
HZ3
|
E:LYS9
|
2.8
|
31.8
|
1.0
|
|
HD2
|
A:LYS87
|
3.3
|
33.6
|
1.0
|
|
HD3
|
E:LYS9
|
3.3
|
29.1
|
1.0
|
|
HA
|
A:TYR84
|
3.3
|
31.2
|
1.0
|
|
HB2
|
A:LYS87
|
3.5
|
31.1
|
1.0
|
|
HZ
|
E:PHE25
|
3.6
|
26.7
|
1.0
|
|
HD1
|
A:TYR84
|
3.6
|
31.7
|
1.0
|
|
NZ
|
E:LYS9
|
3.6
|
26.5
|
1.0
|
|
HE2
|
E:LYS9
|
3.7
|
29.2
|
1.0
|
|
HB3
|
A:GLU83
|
3.7
|
31.3
|
1.0
|
|
HE1
|
E:PHE25
|
3.8
|
29.0
|
1.0
|
|
HE1
|
E:MET1
|
3.9
|
33.8
|
1.0
|
|
CE
|
E:LYS9
|
4.0
|
24.4
|
1.0
|
|
HZ1
|
E:LYS9
|
4.0
|
31.8
|
1.0
|
|
CD
|
E:LYS9
|
4.1
|
24.3
|
1.0
|
|
CD
|
A:LYS87
|
4.1
|
28.1
|
1.0
|
|
O
|
A:GLU83
|
4.1
|
23.4
|
1.0
|
|
HB2
|
A:TYR84
|
4.1
|
28.7
|
1.0
|
|
CA
|
A:TYR84
|
4.1
|
26.0
|
1.0
|
|
HD3
|
A:LYS87
|
4.1
|
33.6
|
1.0
|
|
HB3
|
A:LYS87
|
4.2
|
31.1
|
1.0
|
|
HZ2
|
E:LYS9
|
4.2
|
31.8
|
1.0
|
|
CB
|
A:LYS87
|
4.2
|
25.9
|
1.0
|
|
O
|
A:HOH456
|
4.2
|
33.2
|
1.0
|
|
C
|
A:GLU83
|
4.2
|
21.8
|
1.0
|
|
CZ
|
E:PHE25
|
4.2
|
22.3
|
1.0
|
|
N
|
A:TYR84
|
4.3
|
23.8
|
1.0
|
|
HE2
|
E:MET1
|
4.3
|
33.8
|
1.0
|
|
CE1
|
E:PHE25
|
4.4
|
24.2
|
1.0
|
|
CD1
|
A:TYR84
|
4.4
|
26.4
|
1.0
|
|
HD2
|
E:LYS9
|
4.5
|
29.1
|
1.0
|
|
HB2
|
A:GLU83
|
4.5
|
31.3
|
1.0
|
|
CB
|
A:GLU83
|
4.5
|
26.1
|
1.0
|
|
CE
|
E:MET1
|
4.6
|
28.2
|
1.0
|
|
CB
|
A:TYR84
|
4.6
|
23.9
|
1.0
|
|
CG
|
A:LYS87
|
4.6
|
29.4
|
1.0
|
|
H
|
A:TYR84
|
4.7
|
28.5
|
1.0
|
|
HG3
|
A:LYS87
|
4.8
|
35.3
|
1.0
|
|
HE3
|
E:LYS9
|
4.9
|
29.2
|
1.0
|
|
Iodine binding site 3 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 3 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I303
b:45.6
occ:1.00
|
HG
|
A:SER146
|
3.1
|
36.1
|
1.0
|
|
HB3
|
A:ARG142
|
3.2
|
33.6
|
1.0
|
|
OG
|
A:SER146
|
3.2
|
30.1
|
1.0
|
|
HA
|
A:ILE143
|
3.3
|
27.4
|
1.0
|
|
HE1
|
A:TYR128
|
3.6
|
31.9
|
1.0
|
|
O
|
A:HOH403
|
3.6
|
37.0
|
1.0
|
|
O
|
A:ARG142
|
3.7
|
27.1
|
1.0
|
|
HB2
|
A:SER146
|
3.8
|
32.4
|
1.0
|
|
C
|
A:ARG142
|
3.8
|
25.2
|
1.0
|
|
HG13
|
A:ILE143
|
3.9
|
28.6
|
1.0
|
|
HG12
|
A:ILE143
|
3.9
|
28.6
|
1.0
|
|
HB2
|
A:ARG142
|
3.9
|
33.6
|
1.0
|
|
CB
|
A:ARG142
|
4.0
|
28.1
|
1.0
|
|
N
|
A:ILE143
|
4.0
|
23.6
|
1.0
|
|
CB
|
A:SER146
|
4.0
|
27.0
|
1.0
|
|
O
|
A:HOH444
|
4.1
|
39.5
|
1.0
|
|
O
|
C:HOH405
|
4.1
|
42.3
|
1.0
|
|
CA
|
A:ILE143
|
4.1
|
22.9
|
1.0
|
|
CE1
|
A:TYR128
|
4.1
|
26.6
|
1.0
|
|
HH
|
A:TYR128
|
4.2
|
43.8
|
1.0
|
|
CG1
|
A:ILE143
|
4.3
|
23.8
|
1.0
|
|
HB3
|
A:SER146
|
4.4
|
32.4
|
1.0
|
|
O
|
A:HOH407
|
4.4
|
47.8
|
1.0
|
|
H
|
A:ILE143
|
4.4
|
28.3
|
1.0
|
|
CA
|
A:ARG142
|
4.5
|
26.5
|
1.0
|
|
HD2
|
A:ARG142
|
4.6
|
37.5
|
1.0
|
|
OH
|
A:TYR128
|
4.7
|
36.5
|
1.0
|
|
O
|
C:HOH560
|
4.7
|
45.3
|
1.0
|
|
CZ
|
A:TYR128
|
4.7
|
33.6
|
1.0
|
|
HE
|
A:ARG142
|
4.8
|
38.8
|
1.0
|
|
HD1
|
A:TYR128
|
4.8
|
32.2
|
1.0
|
|
H
|
A:SER146
|
4.8
|
36.6
|
1.0
|
|
CD1
|
A:TYR128
|
4.8
|
26.9
|
1.0
|
|
CB
|
A:ILE143
|
4.9
|
24.7
|
1.0
|
|
HA
|
A:ARG142
|
4.9
|
31.8
|
1.0
|
|
HO6
|
C:B3P303
|
5.0
|
57.8
|
1.0
|
|
Iodine binding site 4 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 4 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I301
b:28.6
occ:1.00
|
HZ3
|
C:LYS9
|
2.7
|
31.4
|
1.0
|
|
HD3
|
C:LYS9
|
3.3
|
28.8
|
1.0
|
|
HZ
|
C:PHE25
|
3.5
|
30.1
|
1.0
|
|
NZ
|
C:LYS9
|
3.5
|
26.1
|
1.0
|
|
HE2
|
C:LYS9
|
3.8
|
29.4
|
1.0
|
|
HE1
|
C:PHE25
|
3.8
|
29.7
|
1.0
|
|
HZ1
|
C:LYS9
|
3.9
|
31.4
|
1.0
|
|
HE1
|
C:MET1
|
3.9
|
32.1
|
1.0
|
|
CE
|
C:LYS9
|
4.0
|
24.5
|
1.0
|
|
HZ2
|
C:LYS9
|
4.1
|
31.4
|
1.0
|
|
CD
|
C:LYS9
|
4.1
|
24.0
|
1.0
|
|
CZ
|
C:PHE25
|
4.2
|
25.1
|
1.0
|
|
CE1
|
C:PHE25
|
4.3
|
24.8
|
1.0
|
|
HE2
|
C:MET1
|
4.4
|
32.1
|
1.0
|
|
HD2
|
C:LYS9
|
4.6
|
28.8
|
1.0
|
|
CE
|
C:MET1
|
4.6
|
26.8
|
1.0
|
|
HE3
|
C:LYS9
|
5.0
|
29.4
|
1.0
|
|
Iodine binding site 5 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 5 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I302
b:49.3
occ:1.00
|
HG
|
C:SER146
|
2.5
|
43.2
|
1.0
|
|
HB3
|
C:ARG142
|
3.2
|
40.4
|
1.0
|
|
OG
|
C:SER146
|
3.2
|
36.0
|
1.0
|
|
HA
|
C:ILE143
|
3.3
|
36.0
|
1.0
|
|
O
|
C:HOH418
|
3.5
|
38.3
|
1.0
|
|
HE1
|
C:TYR128
|
3.6
|
34.5
|
1.0
|
|
O
|
C:ARG142
|
3.8
|
29.5
|
1.0
|
|
O
|
C:HOH449
|
3.8
|
48.0
|
1.0
|
|
HB2
|
C:SER146
|
3.8
|
37.4
|
1.0
|
|
C
|
C:ARG142
|
3.9
|
22.5
|
1.0
|
|
HG13
|
C:ILE143
|
4.0
|
31.0
|
1.0
|
|
HG12
|
C:ILE143
|
4.0
|
31.0
|
1.0
|
|
CB
|
C:ARG142
|
4.0
|
33.7
|
1.0
|
|
N
|
C:ILE143
|
4.0
|
25.5
|
1.0
|
|
CB
|
C:SER146
|
4.1
|
31.2
|
1.0
|
|
HB2
|
C:ARG142
|
4.1
|
40.4
|
1.0
|
|
CA
|
C:ILE143
|
4.1
|
30.0
|
1.0
|
|
O
|
C:HOH476
|
4.2
|
36.3
|
1.0
|
|
CE1
|
C:TYR128
|
4.2
|
28.7
|
1.0
|
|
CG1
|
C:ILE143
|
4.4
|
25.9
|
1.0
|
|
HB3
|
C:SER146
|
4.4
|
37.4
|
1.0
|
|
H
|
C:ILE143
|
4.5
|
30.6
|
1.0
|
|
HD2
|
C:ARG142
|
4.6
|
38.1
|
1.0
|
|
CA
|
C:ARG142
|
4.6
|
24.2
|
1.0
|
|
O
|
C:HOH548
|
4.6
|
44.5
|
1.0
|
|
OH
|
C:TYR128
|
4.7
|
40.9
|
1.0
|
|
CZ
|
C:TYR128
|
4.7
|
34.1
|
1.0
|
|
O
|
C:HOH522
|
4.8
|
49.0
|
1.0
|
|
HE
|
C:ARG142
|
4.8
|
41.7
|
1.0
|
|
HD1
|
C:TYR128
|
4.8
|
34.8
|
1.0
|
|
H
|
C:SER146
|
4.8
|
37.3
|
1.0
|
|
CD1
|
C:TYR128
|
4.9
|
29.0
|
1.0
|
|
CB
|
C:ILE143
|
4.9
|
25.0
|
1.0
|
|
HA
|
C:ARG142
|
5.0
|
29.0
|
1.0
|
|
Iodine binding site 6 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 6 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I301
b:26.9
occ:1.00
|
HZ1
|
A:LYS9
|
2.7
|
32.0
|
1.0
|
|
HD2
|
E:LYS87
|
3.2
|
39.5
|
1.0
|
|
HD3
|
A:LYS9
|
3.3
|
27.6
|
1.0
|
|
HA
|
E:TYR84
|
3.3
|
29.7
|
1.0
|
|
HB2
|
E:LYS87
|
3.5
|
28.9
|
1.0
|
|
HZ
|
A:PHE25
|
3.5
|
27.0
|
1.0
|
|
NZ
|
A:LYS9
|
3.5
|
26.7
|
1.0
|
|
HD1
|
E:TYR84
|
3.6
|
30.6
|
1.0
|
|
O
|
E:HOH576
|
3.6
|
48.5
|
1.0
|
|
HE1
|
A:PHE25
|
3.7
|
30.5
|
1.0
|
|
HB3
|
E:GLU83
|
3.8
|
25.8
|
1.0
|
|
HE1
|
A:MET1
|
3.8
|
34.5
|
1.0
|
|
HE2
|
A:LYS9
|
3.9
|
30.2
|
1.0
|
|
HZ2
|
A:LYS9
|
4.0
|
32.0
|
1.0
|
|
O
|
E:GLU83
|
4.0
|
23.9
|
1.0
|
|
HZ3
|
A:LYS9
|
4.0
|
32.0
|
1.0
|
|
CE
|
A:LYS9
|
4.0
|
25.2
|
1.0
|
|
CD
|
A:LYS9
|
4.1
|
23.0
|
1.0
|
|
CD
|
E:LYS87
|
4.1
|
33.0
|
1.0
|
|
CA
|
E:TYR84
|
4.1
|
24.8
|
1.0
|
|
HD3
|
E:LYS87
|
4.1
|
39.5
|
1.0
|
|
O
|
E:HOH434
|
4.1
|
33.6
|
1.0
|
|
HB2
|
E:TYR84
|
4.2
|
29.0
|
1.0
|
|
HB3
|
E:LYS87
|
4.2
|
28.9
|
1.0
|
|
C
|
E:GLU83
|
4.2
|
19.0
|
1.0
|
|
CZ
|
A:PHE25
|
4.2
|
22.5
|
1.0
|
|
CB
|
E:LYS87
|
4.2
|
24.1
|
1.0
|
|
HE2
|
A:MET1
|
4.3
|
34.5
|
1.0
|
|
N
|
E:TYR84
|
4.3
|
22.8
|
1.0
|
|
O
|
E:HOH551
|
4.3
|
46.6
|
1.0
|
|
CE1
|
A:PHE25
|
4.3
|
25.4
|
1.0
|
|
HD2
|
A:LYS9
|
4.4
|
27.6
|
1.0
|
|
CD1
|
E:TYR84
|
4.5
|
25.5
|
1.0
|
|
CE
|
A:MET1
|
4.5
|
28.8
|
1.0
|
|
CB
|
E:GLU83
|
4.5
|
21.5
|
1.0
|
|
HB2
|
E:GLU83
|
4.5
|
25.8
|
1.0
|
|
CB
|
E:TYR84
|
4.6
|
24.2
|
1.0
|
|
CG
|
E:LYS87
|
4.6
|
26.4
|
1.0
|
|
H
|
E:TYR84
|
4.7
|
27.4
|
1.0
|
|
HG3
|
E:LYS87
|
4.7
|
31.7
|
1.0
|
|
HE3
|
A:LYS9
|
5.0
|
30.2
|
1.0
|
|
Iodine binding site 7 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 7 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I302
b:45.2
occ:1.00
|
HG
|
E:SER146
|
3.1
|
40.1
|
1.0
|
|
HB3
|
E:ARG142
|
3.1
|
33.5
|
1.0
|
|
OG
|
E:SER146
|
3.2
|
33.4
|
1.0
|
|
HA
|
E:ILE143
|
3.4
|
29.2
|
1.0
|
|
O
|
E:HOH410
|
3.5
|
37.7
|
1.0
|
|
HE1
|
E:TYR128
|
3.7
|
35.3
|
1.0
|
|
O
|
E:ARG142
|
3.8
|
29.8
|
1.0
|
|
HG12
|
E:ILE143
|
3.9
|
30.4
|
1.0
|
|
C
|
E:ARG142
|
3.9
|
24.1
|
1.0
|
|
HB2
|
E:SER146
|
3.9
|
33.2
|
1.0
|
|
HG13
|
E:ILE143
|
4.0
|
30.4
|
1.0
|
|
CB
|
E:ARG142
|
4.0
|
28.0
|
1.0
|
|
N
|
E:ILE143
|
4.1
|
22.4
|
1.0
|
|
CB
|
E:SER146
|
4.1
|
27.7
|
1.0
|
|
HB2
|
E:ARG142
|
4.1
|
33.5
|
1.0
|
|
CA
|
E:ILE143
|
4.1
|
24.4
|
1.0
|
|
O
|
E:HOH443
|
4.2
|
41.3
|
1.0
|
|
CE1
|
E:TYR128
|
4.2
|
29.4
|
1.0
|
|
O
|
G:HOH538
|
4.3
|
43.3
|
1.0
|
|
CG1
|
E:ILE143
|
4.4
|
25.4
|
1.0
|
|
HB3
|
E:SER146
|
4.5
|
33.2
|
1.0
|
|
HD2
|
E:ARG142
|
4.5
|
38.4
|
1.0
|
|
H
|
E:ILE143
|
4.5
|
26.8
|
1.0
|
|
CA
|
E:ARG142
|
4.6
|
26.2
|
1.0
|
|
OH
|
E:TYR128
|
4.7
|
36.5
|
1.0
|
|
O
|
G:HOH533
|
4.8
|
47.5
|
1.0
|
|
HE
|
E:ARG142
|
4.8
|
41.5
|
1.0
|
|
CZ
|
E:TYR128
|
4.8
|
31.4
|
1.0
|
|
H
|
E:SER146
|
4.9
|
34.8
|
1.0
|
|
CB
|
E:ILE143
|
4.9
|
23.8
|
1.0
|
|
HD1
|
E:TYR128
|
4.9
|
34.0
|
1.0
|
|
CD1
|
E:TYR128
|
4.9
|
28.3
|
1.0
|
|
HA
|
E:ARG142
|
5.0
|
31.5
|
1.0
|
|
Iodine binding site 8 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 8 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:I303
b:74.2
occ:1.00
|
HE1
|
F:HIS184
|
2.9
|
69.5
|
1.0
|
|
HG3
|
E:GLU182
|
3.1
|
54.7
|
1.0
|
|
HE2
|
E:TYR181
|
3.3
|
50.4
|
1.0
|
|
HA
|
E:GLU182
|
3.4
|
44.0
|
1.0
|
|
HD2
|
E:TYR181
|
3.6
|
54.9
|
1.0
|
|
CE1
|
F:HIS184
|
3.8
|
58.0
|
1.0
|
|
CG
|
E:GLU182
|
4.0
|
45.6
|
1.0
|
|
CE2
|
E:TYR181
|
4.0
|
42.1
|
1.0
|
|
CD2
|
E:TYR181
|
4.1
|
45.8
|
1.0
|
|
HB2
|
E:GLU182
|
4.2
|
45.1
|
1.0
|
|
CA
|
E:GLU182
|
4.3
|
36.7
|
1.0
|
|
CB
|
E:GLU182
|
4.4
|
37.6
|
1.0
|
|
HG2
|
E:GLU182
|
4.4
|
54.7
|
1.0
|
|
HE2
|
F:HIS184
|
4.4
|
67.1
|
1.0
|
|
NE2
|
F:HIS184
|
4.5
|
55.9
|
1.0
|
|
ND1
|
F:HIS184
|
4.8
|
53.6
|
1.0
|
|
O
|
E:TYR181
|
4.9
|
36.6
|
1.0
|
|
O
|
E:GLU182
|
5.0
|
40.3
|
1.0
|
|
CD
|
E:GLU182
|
5.0
|
52.6
|
1.0
|
|
Iodine binding site 9 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 9 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I301
b:29.2
occ:1.00
|
HZ3
|
G:LYS9
|
2.7
|
34.0
|
1.0
|
|
HD3
|
G:LYS9
|
3.4
|
34.3
|
1.0
|
|
HE2
|
G:LYS9
|
3.5
|
31.8
|
1.0
|
|
NZ
|
G:LYS9
|
3.5
|
28.4
|
1.0
|
|
HZ
|
G:PHE25
|
3.6
|
29.6
|
1.0
|
|
HE1
|
G:PHE25
|
3.8
|
32.0
|
1.0
|
|
HZ1
|
G:LYS9
|
3.8
|
34.0
|
1.0
|
|
HE1
|
G:MET1
|
3.8
|
34.3
|
1.0
|
|
CE
|
G:LYS9
|
3.9
|
26.6
|
1.0
|
|
CD
|
G:LYS9
|
4.1
|
28.6
|
1.0
|
|
HZ2
|
G:LYS9
|
4.2
|
34.0
|
1.0
|
|
CZ
|
G:PHE25
|
4.3
|
24.7
|
1.0
|
|
CE1
|
G:PHE25
|
4.3
|
26.7
|
1.0
|
|
HE2
|
G:MET1
|
4.4
|
34.3
|
1.0
|
|
CE
|
G:MET1
|
4.6
|
28.6
|
1.0
|
|
HD2
|
G:LYS9
|
4.6
|
34.3
|
1.0
|
|
HE3
|
G:LYS9
|
4.8
|
31.8
|
1.0
|
|
Iodine binding site 10 out
of 11 in 6yr6
Go back to
Iodine Binding Sites List in 6yr6
Iodine binding site 10 out
of 11 in the 14-3-3 Sigma in Complex with HDM2-186 Peptide
 Mono view
 Stereo pair view
|
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of 14-3-3 Sigma in Complex with HDM2-186 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:I302
b:56.3
occ:1.00
|
HG
|
G:SER146
|
3.1
|
49.8
|
1.0
|
|
OG
|
G:SER146
|
3.1
|
41.5
|
1.0
|
|
HB3
|
G:ARG142
|
3.1
|
47.3
|
1.0
|
|
HA
|
G:ILE143
|
3.5
|
40.8
|
1.0
|
|
O
|
G:HOH412
|
3.6
|
45.2
|
1.0
|
|
O
|
G:ARG142
|
3.7
|
40.5
|
1.0
|
|
HE1
|
G:TYR128
|
3.7
|
37.9
|
1.0
|
|
HB2
|
G:SER146
|
3.8
|
46.3
|
1.0
|
|
C
|
G:ARG142
|
3.9
|
36.6
|
1.0
|
|
CB
|
G:ARG142
|
4.0
|
39.4
|
1.0
|
|
CB
|
G:SER146
|
4.0
|
38.6
|
1.0
|
|
HB2
|
G:ARG142
|
4.1
|
47.3
|
1.0
|
|
HG13
|
G:ILE143
|
4.1
|
43.0
|
1.0
|
|
CE1
|
G:TYR128
|
4.2
|
31.6
|
1.0
|
|
N
|
G:ILE143
|
4.2
|
35.7
|
1.0
|
|
HG12
|
G:ILE143
|
4.2
|
43.0
|
1.0
|
|
CA
|
G:ILE143
|
4.3
|
34.0
|
1.0
|
|
HB3
|
G:SER146
|
4.3
|
46.3
|
1.0
|
|
HD2
|
G:ARG142
|
4.5
|
54.5
|
1.0
|
|
OH
|
G:TYR128
|
4.5
|
40.7
|
1.0
|
|
CA
|
G:ARG142
|
4.5
|
36.1
|
1.0
|
|
O
|
G:HOH531
|
4.6
|
53.2
|
1.0
|
|
CG1
|
G:ILE143
|
4.6
|
35.9
|
1.0
|
|
CZ
|
G:TYR128
|
4.7
|
31.9
|
1.0
|
|
H
|
G:ILE143
|
4.7
|
42.9
|
1.0
|
|
O
|
E:HOH574
|
4.7
|
47.6
|
1.0
|
|
H
|
G:SER146
|
4.8
|
43.2
|
1.0
|
|
HA
|
G:ARG142
|
4.9
|
43.2
|
1.0
|
|
HE
|
G:ARG142
|
4.9
|
52.0
|
1.0
|
|
CD1
|
G:TYR128
|
4.9
|
27.3
|
1.0
|
|
HO6
|
G:B3P304
|
5.0
|
66.6
|
1.0
|
|
Reference:
S.Srdanovic,
M.Wolter,
F.Hobor,
S.Warriner,
A.Wilson,
C.Ottmann.
14-3-3 Sigma in Complex with HDM2-186 Peptide To Be Published.
Page generated: Mon Aug 12 00:40:55 2024
|
