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)
50PF00659_PLK1_HUMAN16 100% 0.264 PF00659 C1_S142 - (6)17 5 / 10 / 5 13--
51PF01327_DEF_STRR612 100% 0.476 PF01327 C2_S130 - (3)12 - / 4 / 9 7--
52PF02375_KDM4E_HUMAN24 100% 0.539 PF02375 C3_S159 - (0)15 1 / 6 / 23 10--
53PF02196_BRAF_HUMAN55 100% 0.198 PF02196 C2_S174 - (4)20 18 / 32 / 4 25--
54PF00018_ABL1_MOUSE69 100% 0.320 PF00018 C3_S184 - (11)20 48 / 22 / 7 26--
55PF00787_P3C2A_HUMAN17 100% 0.208 PF00613 C1_S123 - (2)18 - / 7 / 11 17--
56PF13931_KIF11_HUMAN44 100% 0.182 PF13931 C1_S175 - (0)20 3 / 55 / 10 21--
57PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
58PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32
59PF00089_PROC_HUMAN24 100% 0.273 PF00089 C1_S130 - (0)20 - / 10 / 14 19--
60PF00069_ST17B_HUMAN15 100% 0.398 PF00069 C1_S131 - (12)15 - / 4 / 10 7 9 0.11
61PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
62PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
63PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
64PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
65PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
66PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
67PF00069_ST32A_HUMAN14 100% 0.469 PF00433 C1_S144 - (10)15 - / 11 / 4 10 6 -0.44
68PF12549_TY3H_HUMAN12 100% 0.536 PF00351 C1_S115 - (14)10 - / - / 15 7--
69PF00753_BLAB_SERMA18 100% 0.737 PF00753 C1_S135 - (0)15 - / 6 / 10 8--
70PF00183_HS90A_HUMAN27 100% 0.406 PF00183 C1_S129 - (0)20 1 / 16 / 10 24--
71PF00433_KS6B1_HUMAN25 100% 0.354 PF00433 C1_S147 - (11)19 1 / 25 / 2 11--
72PF10613_GRIA2_RAT31 100% 0.406 PF10613 C1_S133 - (0)20 - / - / 16 7--
73PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
74PF00303_DRTS_TRYCR15 100% 0.540 PF00303 C6_S127 - (15)11 - / 3 / 16 7--
75PF01467_COAD_ECOSE22 100% 0.777 PF01467 C1_S142 - (36)14 2 / 8 / 13 7--
76PF00704_CHIB_SERMA25 100% 0.840 PF00704 C1_S195 - (4)15 2 / - / 13 9--
77PF01471_MMP14_HUMAN14 100% 0.375 PF01471 C1_S125 - (0)12 4 / 7 / 7 6--
78PF00303_TYSY_RAT34 100% 0.771 PF00303 C6_S167 - (33)14 - / 12 / 34 6--
79PF00107_ADH7_HUMAN17 100% 0.732 PF00107 C1_S151 - (37)15 15 / - / 10 8--
80PF00069_M3K14_HUMAN9 100% 0.195 PF00069 C1_S140 - (12)13 2 / 7 / 6 8--
81PF00233_PDE3B_HUMAN7 100% 0.176 PF00233 C3_S128 - (5)10 - / 1 / 5 6--
82PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
83PF08515_TGFR1_MOUSE16 100% 0.351 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
84PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
85PF00433_KPCL_HUMAN23 100% 0.290 PF00433 C1_S151 - (12)20 - / 25 / 12 16--
86PF00089_CTRC_HUMAN14 100% 0.504 PF00089 C1_S123 - (0)10 - / - / 7 7 33 -0.01
87PF07714_JAK3_HUMAN17 100% 0.134 PF00017 C1_S117 - (0)17 1 / 11 / 5 16--
88PF00069_MK08_HUMAN37 100% 0.418 PF00069 C1_S148 - (7)20 6 / 19 / 10 29 55 -0.08
89PF09160_FIMH_ECOLI28 100% 0.536 PF09160 C2_S128 - (0)20 - / 11 / 16 13--
90PF00275_AROA_ECO5519 100% 0.814 PF00275 C2_S156 - (27)14 3 / 9 / 16 8--
91PF01230_HINT1_HUMAN16 100% 0.510 PF01230 C2_S130 - (0)17 - / 7 / 13 10--
92PF00433_KS6A5_HUMAN27 100% 0.212 PF00433 C1_S138 - (8)18 1 / 20 / 6 10--
93PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
94PF02244_CBPB1_PIG59 100% 0.786 PF02244 C2_S162 - (0)20 23 / 17 / 16 23--
95PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
96PF01327_DEF_STRP712 100% 0.476 PF01327 C2_S130 - (3)12 - / 4 / 9 7--
97PF00536_EPHB4_HUMAN33 100% 0.179 PF00536 C1_S140 - (13)20 1 / 19 / 13 17--
98PF00069_MYLK4_HUMAN18 100% 0.346 PF00069 C1_S128 - (11)17 - / 8 / 10 11 9 0.47
99PF00653_BIRC7_HUMAN39 100% 0.228 PF00653 C1_S151 - (0)20 - / 24 / 10 12--
100PF00069_MK06_HUMAN11 100% 0.254 PF00069 C1_S129 - (9)12 - / 3 / 8 7--

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