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)
1PF01471_MMP7_HUMAN15 100% 0.845 PF01471 C1_S126 - (0)15 2 / 8 / 6 10--
2PF00653_BIRC7_HUMAN39 100% 0.228 PF00653 C1_S151 - (0)20 - / 24 / 10 12--
3PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
4PF00439_BRD2_HUMAN43 100% 0.084 PF00439 C6_S154 - (0)20 - / 15 / 20 15--
5PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
6PF00089_FA10_BOVIN50 100% 0.313 PF00089 C4_S156 - (0)20 2 / 42 / 4 37 129 0.05
7PF05014_DNPH1_RAT23 100% 0.634 PF05014 C1_S123 - (0)11 - / - / 16 6--
8PF01471_MMP3_HUMAN37 100% 0.513 PF01471 C3_S146 - (0)20 4 / 12 / 17 20--
9PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
10PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32
11PF07714_MERTK_HUMAN25 100% 0.156 PF07714 C1_S126 - (3)20 8 / 12 / 5 19--
12PF00619_BIRC3_HUMAN30 100% 0.259 PF00619 C3_S142 - (0)20 - / 26 / 5 10--
13PF00061_FABPH_HUMAN22 100% 0.618 PF00061 C2_S129 - (0)18 - / 3 / 21 13 12 0.15
14PF00144_AMPC_PSEAE17 100% 0.514 PF00144 C1_S132 - (1)17 - / - / 14 13--
15PF00850_HDAC7_HUMAN19 100% 0.220 PF00850 C4_S124 - (0)14 - / 6 / 12 8--
16PF00105_THA_CHICK15 100% 0.330 PF00105 C3_S140 - (0)9 4 / 11 / - 6--
17PF00017_ZAP70_HUMAN24 100% 0.548 PF00017 C1_S137 - (11)18 7 / 12 / 7 16 31 0.17
18PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
19PF02146_SIR2_YEAST21 100% 0.415 PF02146 C2_S154 - (0)16 14 / 10 / 8 9--
20PF00072_AHK4_ARATH14 100% 0.141 PF00072 C3_S116 - (0)12 - / 2 / 12 6--
21PF00071_CDC42_CHICK61 100% 0.509 PF00071 C3_S173 - (68)14 3 / 48 / 8 6 51 0.30
22PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
23PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
24PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
25PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
26PF00248_ALDR_PIG68 100% 0.819 PF00248 C5_S1138 - (74)20 73 / 26 / 11 25--
27PF00089_CTRC_HUMAN14 100% 0.504 PF00089 C1_S123 - (0)10 - / - / 7 7 33 -0.01
28PF00557_MAP2_HUMAN16 100% 0.431 PF00557 C1_S124 - (0)16 - / 4 / 12 16--
29PF02146_SIR3_HUMAN25 100% 0.389 PF02146 C1_S164 - (21)18 16 / 16 / 7 10--
30PF00343_PYGL_HUMAN13 100% 0.755 PF00343 C5_S124 - (3)10 - / 3 / 15 7--
31PF00105_PPARG_HUMAN61 100% 0.444 PF00105 C3_S182 - (0)20 5 / 27 / 33 33--
32PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--
33PF00233_PDE4B_HUMAN54 100% 0.460 PF00233 C9_S179 - (9)20 6 / 22 / 20 24--
34PF00233_PDE10_HUMAN55 100% 0.199 PF00233 C3_S170 - (8)20 8 / 24 / 23 34--
35PF01467_NADD_BACAA20 100% 0.644 PF01467 C1_S144 - (23)17 10 / 2 / 8 6--
36PF00105_RARA_HUMAN24 100% 0.273 PF00105 C2_S172 - (0)19 15 / 9 / 14 12--
37PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
38PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
39PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
40PF00337_LEG7_HUMAN23 100% 0.718 PF00337 C1_S142 - (0)17 - / - / 22 7--
41PF00186_DYR_LACCA7 100% 0.645 PF00186 C2_S156 - (33)10 6 / - / 3 6--
42PF00144_BLAC_STAAU11 100% 0.827 PF00144 C1_S124 - (5)11 - / - / 11 9--
43PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
44PF01433_ERAP2_HUMAN10 100% 0.401 PF01433 C2_S133 - (0)10 - / - / 11 8--
45PF01471_MMP14_HUMAN14 100% 0.375 PF01471 C1_S125 - (0)12 4 / 7 / 7 6--
46PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
47PF00433_KPCI_HUMAN24 100% 0.347 PF00433 C2_S152 - (10)20 2 / 13 / 21 19--
48PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
49PF02897_PPCE_PIG26 100% 0.845 PF02897 C1_S133 - (0)16 - / 9 / 15 10--
50PF00069_PAK1_HUMAN18 100% 0.299 PF00069 C1_S139 - (13)16 1 / 9 / 13 10 8 0.07

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