Screening Results : Docking based on all models from entry : PF00017_ZAP70_HUMAN
Display Selection :
Study :
All_Studies
BDB
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
4552
50059889
50242742
50249284
50249286
50249318
50249356
50249416
50249540
50249542
50275355
50275356
50275357
50275358
50275934
50275935
50276015
50276016
50276017
50276018
50276063
50276064
50276065
50306682
50326054
50332294
50355496
50355502
50383081
50423656
50423773
7364
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
7.7
2.4
50306682
3FQS
(60%)
+
585_A_2
QMean=0.196
P1
:
(3 Cplx.)
BDB
pKd= -5.4
2
7.9
1.1
50332294
3VF8
(61%)
+
0JE_A_2
QMean=0.203
P1
:
(5 Cplx.)
BDB
pKd= -5.4
3
7.8
1.6
50249284
1XBC
(60%)
+
STU_A_2
QMean=0.207
P1
:
(6 Cplx.)
BDB
pKi= -5.5
4
7.0
1.5
7364
3VF8
(61%)
+
0JE_A_2
QMean=0.203
P1
:
(10 Cplx.)
BDB
pKi= -5.6
5
6.5
1.1
50276016
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(8 Cplx.)
BDB
pKi= -5.7
6
7.8
1.3
50242742
3FQS
(60%)
+
585_A_2
QMean=0.196
P1
:
(3 Cplx.)
BDB
pKd= -5.8
7
8.0
0.3
50249540
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(7 Cplx.)
BDB
pKi= -5.8
8
7.0
2.1
50383081
3FQE
(60%)
+
P5C_A_2
QMean=0.194
P1
:
(3 Cplx.)
BDB
pKi= -5.8
9
6.0
0.6
50276063
3TUD
(61%)
+
FPX_A_2
QMean=0.208
P1
:
(6 Cplx.)
BDB
pKi= -5.8
10
7.9
1.9
4552
3VF8
(61%)
+
0JE_A_2
QMean=0.203
P1
:
(5 Cplx.)
BDB
pKd= -5.8
11
7.1
1.3
50275357
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(5 Cplx.)
BDB
pKi= -5.9
12
6.9
1.5
50249356
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(8 Cplx.)
BDB
pKi= -6.0
13
6.0
1.4
50355496
3VF9
(61%)
+
477_A_2
QMean=0.189
P1
:
(4 Cplx.)
BDB
pKd= -6.0
14
7.3
1.2
50275355
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(5 Cplx.)
BDB
pKi= -6.0
15
6.8
1.4
50249416
3FQH
(60%)
+
057_A_3
QMean=0.184
P1
:
(6 Cplx.)
BDB
pKi= -6.1
16
6.6
1.4
50276017
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(5 Cplx.)
BDB
pKi= -6.1
17
7.3
1.1
50275358
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(7 Cplx.)
BDB
pKi= -6.1
18
7.1
1.3
50275356
3VF8
(61%)
+
0JE_A_2
QMean=0.203
P2
:
(4 Cplx.)
BDB
pKi= -6.2
19
10.6
1.6
50326054
3FQH
(60%)
+
057_A_3
QMean=0.184
P1
:
(4 Cplx.)
BDB
pKd= -6.2
20
6.9
1.5
50249286
3VF9
(61%)
+
477_A_2
QMean=0.189
P1
:
(3 Cplx.)
BDB
pKi= -6.2
21
6.9
0.6
50276065
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(9 Cplx.)
BDB
pKi= -6.3
22
7.7
0.8
50249318
3TUD
(61%)
+
FPX_A_2
QMean=0.208
P1
:
(9 Cplx.)
BDB
pKi= -6.3
23
6.4
0.9
50276015
3TUD
(61%)
+
FPX_A_2
QMean=0.208
P1
:
(9 Cplx.)
BDB
pKi= -6.4
24
6.9
1.5
50276064
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(7 Cplx.)
BDB
pKi= -6.4
25
6.3
1.3
50276018
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(7 Cplx.)
BDB
pKi= -6.5
26
8.1
0.3
50275935
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(7 Cplx.)
BDB
pKi= -6.6
27
6.9
0.4
50275934
3EMG
(61%)
+
685_A_2
QMean=0.191
P1
:
(10 Cplx.)
BDB
pKi= -6.6
28
8.8
1.5
50059889
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(10 Cplx.)
BDB
pKd= -7.4
29
7.2
1.6
50249542
4AOJ
(36%)
+
V4Z_A_4
QMean=0.190
P1
:
(6 Cplx.)
BDB
pKd= -7.7
30
8.6
0.7
50423773
1XBC
(60%)
+
STU_A_2
QMean=0.207
P2
:
(4 Cplx.)
BDB
pKd= -7.8
Correlation coefficient (Pearson) between mesured and calculated pKd: R=-0.20
Action on selected entries :
Select Module :
-----------------------------------------------
Download values (CSV)
Download 3D files (Mol2 & PDB)
Superimpose Selected Complexes
-----------------------------------------------