Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
1PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
2PF00012_HSP7C_BOVIN55 100% 0.613 PF00012 C1_S170 - (0)15 11 / 36 / 8 9 1 -
3PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
4PF00017_ABL_MLVAB69 100% 0.437 PF00018 C2_S183 - (10)20 48 / 22 / 7 26--
5PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
6PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
7PF00017_FER_HUMAN28 66% 0.255 PF00018 C2_S141 - (6)20 10 / 10 / 9 18 16 0.34
8PF00017_FES_HUMAN30 99% 0.254 PF00018 C1_S146 - (7)20 8 / 15 / 9 17 13 0.09
9PF00017_FPS_FUJSV29 79% 0.256 PF00018 C1_S141 - (6)20 6 / 15 / 11 17 1 -
10PF00017_JAK2_HUMAN29 99% 0.135 PF00017 C2_S136 - (5)20 3 / 23 / 4 21 294 0.18
11PF00017_JAK2_MOUSE27 96% 0.134 PF00017 C2_S133 - (6)20 3 / 22 / 3 19--
12PF00017_KSYK_HUMAN35 100% 0.447 PF07714 C2_S148 - (10)20 6 / 23 / 8 27 55 0.19
13PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--
14PF00017_ZAP70_HUMAN24 100% 0.548 PF00017 C1_S137 - (11)18 7 / 12 / 7 16 31 0.17
15PF00017_ZAP70_MOUSE23 97% 0.560 PF00017 C1_S136 - (11)17 6 / 11 / 6 15--
16PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
17PF00018_ABL1_MOUSE69 100% 0.320 PF00018 C3_S184 - (11)20 48 / 22 / 7 26--
18PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
19PF00018_BLK_HUMAN30 74% 0.424 PF00018 C2_S139 - (4)20 9 / 18 / 4 23 49 0.04
20PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
21PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
22PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
23PF00018_FGR_HUMAN66 79% 0.507 PF00018 C2_S176 - (4)20 20 / 33 / 12 33 45 0.25
24PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
25PF00018_FYN_HUMAN63 84% 0.497 PF00018 C3_S174 - (4)20 21 / 30 / 11 31 45 0.11
26PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47
27PF00018_GRB2_MOUSE57 100% 0.544 PF00018 C4_S176 - (0)19 5 / 49 / 5 9--
28PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
29PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
30PF00018_LCK_HUMAN58 100% 0.572 PF00018 C2_S173 - (4)20 23 / 30 / 5 15 146 0.42
31PF00018_LCK_MOUSE58 97% 0.568 PF00018 C2_S173 - (4)20 23 / 30 / 5 20 2 -1.00
32PF00018_LYN_HUMAN60 100% 0.460 PF00018 C3_S175 - (4)20 25 / 29 / 7 18 57 0.28
33PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
34PF00018_LYN_RAT61 98% 0.457 PF00018 C2_S171 - (3)20 26 / 30 / 5 19--
35PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
36PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
37PF00018_SRC_MOUSE62 100% 0.550 PF00018 C2_S174 - (4)20 19 / 35 / 9 30--
38PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
39PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
40PF00018_TXK_HUMAN34 66% 0.351 PF00018 C1_S140 - (4)20 6 / 22 / 7 26 28 0.19
41PF00018_YES_HUMAN63 90% 0.640 PF00018 C2_S174 - (4)20 19 / 33 / 11 34 44 0.31
42PF00026_BACE1_HUMAN47 100% 0.613 PF00026 C7_S166 - (0)20 17 / 16 / 13 25 43 -0.07
43PF00026_BACE1_MOUSE47 98% 0.613 PF00026 C6_S166 - (0)20 17 / 16 / 13 26--
44PF00026_BACE2_HUMAN19 100% 0.404 PF00026 C7_S136 - (0)19 3 / 6 / 8 13 17 0.66
45PF00026_BACE2_RAT21 94% 0.405 PF00026 C7_S137 - (0)20 3 / 3 / 12 15--
46PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
47PF00026_CARP_YEAST11 100% 0.631 PF00026 C2_S144 - (0)10 4 / 1 / 14 7 1 -
48PF00026_CATE_HUMAN12 100% 0.402 PF00026 C2_S127 - (0)10 6 / 2 / 7 6 2 -1.00
49PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
50PF00026_PLM2_PLAFA25 100% 0.763 PF00026 C6_S140 - (0)14 15 / 5 / 5 9 34 0.30

<< Page / 21 >> - Show