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)
50PF00186_DYR_MOUSE56 100% 0.694 PF00186 C3_S1129 - (72)20 52 / 34 / 17 33--
51PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
52PF00105_PPARG_RAT61 99% 0.441 PF00105 C6_S182 - (0)20 5 / 27 / 33 33--
53PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
54PF00112_CATK_CANFA50 99% 0.535 PF00112 C3_S167 - (0)20 - / 10 / 38 32--
55PF01702_TGT_ZYMMO55 99% 0.827 PF01702 C3_S172 - (18)20 2 / 18 / 32 32--
56PF00018_FYN_HUMAN63 84% 0.497 PF00018 C3_S174 - (4)20 21 / 30 / 11 31 45 0.11
57PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
58PF01833_MET_MOUSE44 98% 0.123 PF01833 C1_S157 - (0)20 30 / 12 / 2 31--
59PF00186_DYR_RAT55 96% 0.729 PF00186 C3_S1129 - (72)20 51 / 35 / 15 31--
60PF00089_FA10_RABIT44 84% 0.295 PF00089 C3_S152 - (0)20 2 / 36 / 4 30--
61PF00112_CATK_RAT50 90% 0.430 PF00112 C3_S167 - (0)20 - / 3 / 42 30--
62PF00343_PYGM_RABIT47 100% 0.814 PF00343 C11_S190 - (27)20 - / 13 / 70 30--
63PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
64PF00018_SRC_MOUSE62 100% 0.550 PF00018 C2_S174 - (4)20 19 / 35 / 9 30--
65PF00069_MK01_MOUSE49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
66PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
67PF00595_NOS1_RAT65 100% 0.140 PF00595 C4_S1205 - (8)9 65 / - / 51 29--
68PF00069_MK08_HUMAN37 100% 0.418 PF00069 C1_S148 - (7)20 6 / 19 / 10 29 55 -0.08
69PF01234_PNMT_BOVIN61 85% 0.506 PF01234 C2_S1133 - (84)20 - / 63 / 49 29--
70PF00112_CATK_RABIT51 99% 0.514 PF00112 C4_S167 - (0)20 - / 3 / 40 29--
71PF00069_PIM3_HUMAN42 75% 0.426 PF00069 C1_S185 - (14)20 - / 13 / 36 29 36 -0.71
72PF00069_MK01_HUMAN48 100% 0.782 PF00069 C1_S181 - (14)20 3 / 23 / 23 29 318 0.51
73PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
74PF00069_CSK2A_SCHPO51 71% 0.519 PF00069 C1_S189 - (12)20 - / 20 / 26 29--
75PF00144_BLC1_ECOLX53 98% 0.530 PF00144 C2_S172 - (24)20 - / 10 / 43 29--
76PF00069_MK08_RAT37 99% 0.421 PF00069 C1_S150 - (8)20 6 / 19 / 10 29--
77PF00069_MK03_HUMAN46 88% 0.693 PF00069 C1_S182 - (15)20 2 / 23 / 25 28 5 -0.04
78PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
79PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
80PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
81PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
82PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
83PF00248_AK1C4_HUMAN65 99% 0.583 PF00248 C7_S1152 - (105)20 62 / 2 / 39 28--
84PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
85PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
86PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
87PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
88PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
89PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
90PF00069_MK09_MOUSE51 95% 0.399 PF00069 C1_S176 - (7)20 11 / 36 / 13 27--
91PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
92PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--
93PF01833_MET_CANFA44 99% 0.126 PF01833 C1_S158 - (0)20 30 / 12 / 2 27--
94PF00089_UROK_HUMAN48 100% 0.475 PF00089 C2_S162 - (0)20 - / 18 / 24 27--
95PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
96PF00343_PYGB_HUMAN44 85% 0.793 PF00343 C11_S185 - (27)20 - / 14 / 65 27--
97PF00017_KSYK_HUMAN35 100% 0.447 PF07714 C2_S148 - (10)20 6 / 23 / 8 27 55 0.19
98PF00595_NOS1_MOUSE65 99% 0.139 PF00595 C4_S1205 - (8)10 65 / - / 51 27--
99PF00248_AK1C3_HUMAN68 100% 0.815 PF00248 C8_S1153 - (106)16 66 / 18 / 29 27--
100PF00069_MK10_RAT37 99% 0.382 PF00069 C2_S150 - (7)20 10 / 16 / 10 26--

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