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)
50PF00069_CDK3_HUMAN61 77% 0.561 PF00069 C1_S187 - (7)20 1 / 21 / 35 33 11 -0.32
51PF00105_PPARG_MOUSE61 98% 0.442 PF00105 C5_S182 - (0)20 5 / 27 / 33 33--
52PF00194_CAH2_BOVIN61 100% 0.526 PF00194 C8_S194 - (3)20 - / 5 / 54 40--
53PF01126_HMOX1_HUMAN61 100% 0.632 PF01126 C5_S1109 - (32)16 49 / 13 / 17 11--
54PF00018_LYN_RAT61 98% 0.457 PF00018 C2_S171 - (3)20 26 / 30 / 5 19--
55PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--
56PF00105_PPARG_HUMAN61 100% 0.444 PF00105 C3_S182 - (0)20 5 / 27 / 33 33--
57PF00105_PPARG_CANFA61 100% 0.444 PF00105 C6_S183 - (0)20 5 / 27 / 33 33--
58PF00105_PPARG_RAT61 99% 0.441 PF00105 C6_S182 - (0)20 5 / 27 / 33 33--
59PF00071_CDC42_CHICK61 100% 0.509 PF00071 C3_S173 - (68)14 3 / 48 / 8 6 51 0.30
60PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
61PF00303_TYSY_ECO5760 100% 0.860 PF00303 C7_S1113 - (63)20 - / 9 / 50 11--
62PF00069_CSK2A_MAIZE60 100% 0.764 PF00069 C1_S1109 - (13)20 1 / 29 / 28 33 20 0.82
63PF10391_DPOLB_HUMAN60 100% 0.762 PF10391 C1_S1181 - (160)12 - / 2 / 66 12--
64PF02898_NOS2_RAT60 95% 0.278 PF02898 C1_S1180 - (7)16 60 / - / 100 17--
65PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
66PF00071_CDC42_HUMAN60 100% 0.833 PF00071 C1_S175 - (70)13 17 / 39 / 2 6--
67PF00018_LYN_HUMAN60 100% 0.460 PF00018 C3_S175 - (4)20 25 / 29 / 7 18 57 0.28
68PF02898_NOS3_RAT60 96% 0.242 PF02898 C1_S1213 - (11)20 60 / - / 63 24--
69PF02898_NOS3_HUMAN60 100% 0.250 PF02898 C1_S1212 - (12)20 60 / - / 69 22--
70PF03098_PERL_HUMAN60 85% 0.396 PF03098 C1_S1110 - (0)20 9 / 16 / 44 17--
71PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
72PF02244_CBPB1_HUMAN59 100% 0.856 PF02244 C2_S165 - (0)20 23 / 17 / 16 24--
73PF00653_XIAP_HUMAN59 100% 0.464 PF00653 C13_S1104 - (0)18 1 / 35 / 23 11--
74PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
75PF00545_RNT1_ASPOR59 100% 0.511 PF00545 C8_S170 - (0)15 - / 14 / 46 8--
76PF02244_CBPB1_PIG59 100% 0.786 PF02244 C2_S162 - (0)20 23 / 17 / 16 23--
77PF00018_LCK_MOUSE58 97% 0.568 PF00018 C2_S173 - (4)20 23 / 30 / 5 20 2 -1.00
78PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
79PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
80PF00018_LCK_HUMAN58 100% 0.572 PF00018 C2_S173 - (4)20 23 / 30 / 5 15 146 0.42
81PF00089_UROK_RAT57 71% 0.333 PF00089 C2_S193 - (0)20 - / 5 / 56 40--
82PF01471_MMP13_HUMAN57 100% 0.502 PF01471 C3_S191 - (0)20 28 / 24 / 5 18--
83PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
84PF00018_GRB2_MOUSE57 100% 0.544 PF00018 C4_S176 - (0)19 5 / 49 / 5 9--
85PF02868_THER_BACTH57 100% 0.473 PF02868 C1_S1140 - (0)20 - / 13 / 50 25--
86PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47
87PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
88PF01471_MMP13_BOVIN57 96% 0.446 PF01471 C3_S191 - (0)20 29 / 24 / 5 21--
89PF02196_ARAF_HUMAN57 76% 0.223 PF02196 C2_S177 - (7)20 19 / 33 / 5 25--
90PF00439_BRD3_HUMAN56 100% 0.119 PF00439 C7_S183 - (0)20 - / 19 / 26 23--
91PF00186_DYR_MOUSE56 100% 0.694 PF00186 C3_S1129 - (72)20 52 / 34 / 17 33--
92PF00098_POL_HV1N556 97% 0.309 PF00098 C5_S163 - (0)20 27 / 28 / 2 35--
93PF01471_MMP13_RAT56 97% 0.460 PF01471 C3_S190 - (0)20 20 / 31 / 6 18--
94PF13733_B4GT1_HUMAN56 99% 0.627 PF13733 C1_S1157 - (125)20 - / 27 / 73 10--
95PF01030_ERBB4_HUMAN56 100% 0.269 PF01030 C3_S161 - (13)20 13 / 23 / 19 24--
96PF00186_DYR_RAT55 96% 0.729 PF00186 C3_S1129 - (72)20 51 / 35 / 15 31--
97PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
98PF00089_TRY1_BOVIN55 100% 0.815 PF00089 C1_S195 - (0)20 3 / 2 / 43 18--
99PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
100PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -

<< Page / 21 >> - Show