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)
100PF00343_PYGL_RAT21 94% 0.762 PF00343 C13_S139 - (8)19 - / 9 / 26 14--
101PF00089_CELA1_PIG53 100% 0.761 PF00089 C2_S1104 - (0)20 3 / - / 41 12 13 0.88
102PF00144_AMPC_ENTCL9 100% 0.761 PF00144 C2_S124 - (0)10 - / - / 9 6--
103PF00294_ADK_HUMAN20 100% 0.761 PF00294 C1_S152 - (40)16 4 / 15 / 10 8--
104PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
105PF02055_GLCM_HUMAN17 100% 0.760 PF02055 C7_S130 - (7)18 - / - / 12 7--
106PF00186_DYR_BOVIN66 89% 0.760 PF00186 C2_S1147 - (83)20 59 / 41 / 20 38--
107PF02798_HPGDS_HUMAN34 100% 0.756 PF02798 C1_S136 - (0)20 - / 18 / 17 17--
108PF00343_PYGL_HUMAN13 100% 0.755 PF00343 C5_S124 - (3)10 - / 3 / 15 7--
109PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
110PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
111PF01652_IF4E_MOUSE23 100% 0.750 PF01652 C6_S129 - (0)13 - / 22 / - 9--
112PF01652_IF4E_RABIT23 100% 0.750 PF01652 C6_S129 - (0)13 - / 23 / - 9--
113PF00106_DHB1_HUMAN29 100% 0.749 PF00106 C2_S161 - (55)13 12 / 16 / 13 9--
114PF02244_CBPA1_BOVIN42 100% 0.749 PF02244 C2_S150 - (0)20 1 / 5 / 38 20--
115PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
116PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
117PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
118PF00069_MK14_MOUSE30 100% 0.745 PF00069 C1_S142 - (5)20 6 / 14 / 9 19 19 -0.02
119PF00648_CAN2_HUMAN13 99% 0.742 PF00648 C2_S117 - (0)10 - / 1 / 9 6--
120PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
121PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
122PF00753_BLAB_SERMA18 100% 0.737 PF00753 C1_S135 - (0)15 - / 6 / 10 8--
123PF00648_CAN2_BOVIN13 94% 0.735 PF00648 C2_S117 - (0)10 - / 1 / 9 6--
124PF00107_ADH7_HUMAN17 100% 0.732 PF00107 C1_S151 - (37)15 15 / - / 10 8--
125PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
126PF00186_DYR_RAT55 96% 0.729 PF00186 C3_S1129 - (72)20 51 / 35 / 15 31--
127PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
128PF00450_PPGB_HUMAN10 100% 0.726 PF00450 C2_S130 - (9)11 - / - / 8 6--
129PF01187_MIF_HUMAN49 100% 0.725 PF01187 C5_S168 - (3)20 - / 2 / 30 11--
130PF00303_TYSY_MOUSE33 100% 0.724 PF00303 C7_S165 - (32)14 - / 12 / 33 6--
131PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
132PF00337_LEG7_HUMAN23 100% 0.718 PF00337 C1_S142 - (0)17 - / - / 22 7--
133PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
134PF00135_ACES_TORMA45 97% 0.716 PF00135 C2_S187 - (1)20 8 / 11 / 13 16--
135PF00071_RASH_HUMAN67 100% 0.713 PF00071 C1_S188 - (4)11 40 / 25 / 3 7--
136PF00089_TRYB1_HUMAN43 99% 0.713 PF00089 C1_S163 - (0)20 - / 19 / 20 10--
137PF00071_RAP1A_HUMAN31 100% 0.712 PF00071 C1_S145 - (43)12 15 / 17 / 2 6--
138PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
139PF02799_NMT_YEAST19 100% 0.708 PF02799 C1_S137 - (18)17 20 / 9 / 4 12--
140PF00273_ALBU_HUMAN38 100% 0.707 PF00273 C4_S168 - (0)20 - / 7 / 14 12--
141PF00144_AMPC_CITFR55 97% 0.704 PF00144 C2_S178 - (1)20 - / - / 43 23--
142PF00303_TYSY_HUMAN32 100% 0.702 PF00303 C7_S160 - (29)16 - / 13 / 28 6--
143PF00156_HPRT_HUMAN25 100% 0.701 PF00156 C2_S149 - (31)20 - / 12 / 17 9--
144PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
145PF00186_DYR_MOUSE56 100% 0.694 PF00186 C3_S1129 - (72)20 52 / 34 / 17 33--
146PF00069_MK03_HUMAN46 88% 0.693 PF00069 C1_S182 - (15)20 2 / 23 / 25 28 5 -0.04
147PF01048_MTNN_KLEP333 97% 0.689 PF01048 C2_S159 - (31)20 - / 18 / 14 10--
148PF00194_CAH5A_MOUSE24 98% 0.688 PF00194 C3_S137 - (5)20 - / - / 20 12--
149PF00061_FABP4_HUMAN28 100% 0.684 PF00061 C4_S140 - (0)20 1 / 9 / 18 22 32 0.64
150PF01471_MMP1_HUMAN17 100% 0.683 PF01471 C1_S124 - (0)15 2 / 10 / 7 10--

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