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)
1PF02375_KDM4E_HUMAN24 100% 0.539 PF02375 C3_S159 - (0)15 1 / 6 / 23 10--
2PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
3PF00069_CLK3_MOUSE9 100% 0.258 PF00069 C1_S137 - (13)13 - / 8 / 5 6--
4PF00105_ANDR_MOUSE65 100% 0.208 PF00105 C4_S1125 - (0)20 3 / 67 / 23 22--
5PF02244_CBPB1_HUMAN59 100% 0.856 PF02244 C2_S165 - (0)20 23 / 17 / 16 24--
6PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
7PF01652_IF4E_RABIT23 100% 0.750 PF01652 C6_S129 - (0)13 - / 23 / - 9--
8PF00074_RNAS1_HUMAN19 100% 0.405 PF00074 C8_S123 - (0)18 - / 4 / 13 8 8 0.22
9PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
10PF00144_AMPC_ENTCL9 100% 0.761 PF00144 C2_S124 - (0)10 - / - / 9 6--
11PF00069_AVR2A_HUMAN19 100% 0.302 PF08515 C1_S133 - (0)17 1 / 15 / 4 12 7 0.36
12PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
13PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47
14PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
15PF00194_CAH2_BOVIN61 100% 0.526 PF00194 C8_S194 - (3)20 - / 5 / 54 40--
16PF01467_COAD_ECOSE22 100% 0.777 PF01467 C1_S142 - (36)14 2 / 8 / 13 7--
17PF00850_HDAC2_HUMAN13 100% 0.468 PF00850 C1_S126 - (0)13 - / 5 / 9 6--
18PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
19PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
20PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
21PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
22PF00183_HSP82_YEAST32 100% 0.400 PF00183 C2_S136 - (0)20 - / 15 / 15 12--
23PF00069_GSK3B_MOUSE35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 1 -
24PF00704_CHIB_SERMA25 100% 0.840 PF00704 C1_S195 - (4)15 2 / - / 13 9--
25PF00069_ST17B_HUMAN15 100% 0.398 PF00069 C1_S131 - (12)15 - / 4 / 10 7 9 0.11
26PF00105_RARB_MOUSE25 100% 0.262 PF00105 C2_S175 - (0)19 16 / 9 / 12 12--
27PF00144_AMPC_PSEAE17 100% 0.514 PF00144 C1_S132 - (1)17 - / - / 14 13--
28PF01180_PYRD_HUMAN29 100% 0.506 PF01180 C4_S1113 - (67)6 30 / 24 / 33 23--
29PF00536_EPHB4_HUMAN33 100% 0.179 PF00536 C1_S140 - (13)20 1 / 19 / 13 17--
30PF13193_LUCI_PHOPY15 100% 0.603 PF13193 C1_S128 - (8)12 8 / 4 / 3 7--
31PF00186_DYR_STAAM50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
32PF00303_TYSY_HUMAN32 100% 0.702 PF00303 C7_S160 - (29)16 - / 13 / 28 6--
33PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
34PF07714_RET_HUMAN17 100% 0.573 PF07714 C1_S121 - (4)16 - / 11 / 7 15--
35PF00343_PYGM_RABIT47 100% 0.814 PF00343 C11_S190 - (27)20 - / 13 / 70 30--
36PF00233_PDE5A_HUMAN34 100% 0.211 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
37PF00161_RICI_RICCO30 100% 0.378 PF00161 C2_S134 - (0)20 1 / 6 / 17 20--
38PF00018_LYN_HUMAN60 100% 0.460 PF00018 C3_S175 - (4)20 25 / 29 / 7 18 57 0.28
39PF00433_KPCT_HUMAN23 100% 0.257 PF00433 C1_S152 - (10)20 - / 26 / 9 15--
40PF00105_RORA_HUMAN12 100% 0.349 PF00105 C3_S141 - (0)12 1 / 11 / 4 9--
41PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
42PF00194_CAH4_HUMAN24 100% 0.398 PF00194 C5_S143 - (7)20 - / 1 / 19 9--
43PF00186_DYR_CHICK65 100% 0.795 PF00186 C5_S1135 - (78)20 52 / 42 / 22 35--
44PF00194_CAH1_HUMAN35 100% 0.838 PF00194 C2_S155 - (3)20 - / - / 26 13--
45PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
46PF00089_CELA1_PIG53 100% 0.761 PF00089 C2_S1104 - (0)20 3 / - / 41 12 13 0.88
47PF02540_NADE_BACSU19 100% 0.841 PF02540 C2_S147 - (45)10 - / 10 / 19 6--
48PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
49PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
50PF00433_AKT2_HUMAN39 100% 0.399 PF00433 C1_S177 - (10)20 2 / 49 / 11 25--

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