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)
150PF00112_CATK_RAT50 90% 0.430 PF00112 C3_S167 - (0)20 - / 3 / 42 30--
151PF00105_VDR_MOUSE50 97% 0.299 PF00105 C4_S169 - (0)20 49 / 2 / - 42--
152PF00491_ARGI1_BOVIN50 91% 0.767 PF00491 C12_S150 - (22)20 - / - / 26 12--
153PF00186_DYR_STAAM50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
154PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
155PF00186_DYR_STAAW50 98% 0.589 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
156PF00105_VDR_BOVIN50 90% 0.420 PF00105 C4_S169 - (0)20 48 / 2 / - 42--
157PF01327_DEF_ECO2750 100% 0.770 PF01327 C5_S164 - (10)20 - / 15 / 28 9--
158PF02375_KDM4A_HUMAN49 100% 0.202 PF02375 C5_S186 - (0)20 7 / 8 / 51 14--
159PF00089_THRB_RAT49 97% 0.369 PF00089 C5_S191 - (0)20 10 / 53 / 13 19--
160PF00069_PIM1_HUMAN49 100% 0.392 PF00069 C1_S1102 - (10)20 - / 27 / 38 41 178 -0.11
161PF07647_TNKS1_HUMAN49 100% 0.072 PF07647 C2_S159 - (0)20 30 / 13 / 10 21--
162PF00303_TYSY_ENTFA49 100% 0.595 PF00303 C7_S162 - (48)20 - / 2 / 58 12--
163PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
164PF00156_UMPS_HUMAN49 100% 0.534 PF00156 C3_S1103 - (98)20 - / 15 / 31 9--
165PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
166PF00069_CSK21_RAT49 100% 0.665 PF00069 C1_S185 - (14)20 3 / 22 / 20 22 25 0.03
167PF00069_MK01_MOUSE49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
168PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
169PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
170PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
171PF01187_MIF_HUMAN49 100% 0.725 PF01187 C5_S168 - (3)20 - / 2 / 30 11--
172PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
173PF00089_UROK_HUMAN48 100% 0.475 PF00089 C2_S162 - (0)20 - / 18 / 24 27--
174PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
175PF00068_PA21B_RAT48 80% 0.451 PF00068 C8_S194 - (0)20 - / 8 / 30 14--
176PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
177PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
178PF00069_MK01_HUMAN48 100% 0.782 PF00069 C1_S181 - (14)20 3 / 23 / 23 29 318 0.51
179PF00068_PA21B_MOUSE48 81% 0.426 PF00068 C9_S193 - (0)20 - / 8 / 31 15--
180PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
181PF00026_BACE1_MOUSE47 98% 0.613 PF00026 C6_S166 - (0)20 17 / 16 / 13 26--
182PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
183PF00343_PYGM_RABIT47 100% 0.814 PF00343 C11_S190 - (27)20 - / 13 / 70 30--
184PF10613_GRIK1_HUMAN47 97% 0.326 PF10613 C1_S166 - (0)20 - / - / 40 10--
185PF00026_BACE1_HUMAN47 100% 0.613 PF00026 C7_S166 - (0)20 17 / 16 / 13 25 43 -0.07
186PF00089_TRYT_CANFA47 81% 0.523 PF00089 C1_S172 - (0)20 - / 15 / 23 9--
187PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
188PF00186_DYR_PNECA47 100% 0.803 PF00186 C4_S1116 - (59)20 44 / 27 / 20 39--
189PF00089_FA10_RAT46 86% 0.307 PF00089 C4_S154 - (0)20 2 / 38 / 4 34--
190PF00069_MK03_HUMAN46 88% 0.693 PF00069 C1_S182 - (15)20 2 / 23 / 25 28 5 -0.04
191PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
192PF10613_GRIK1_RAT46 97% 0.321 PF10613 C1_S162 - (0)20 - / - / 38 12--
193PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
194PF10613_GRIK3_RAT45 97% 0.354 PF10613 C1_S160 - (0)17 - / - / 24 7--
195PF00135_ACES_TORMA45 97% 0.716 PF00135 C2_S187 - (1)20 8 / 11 / 13 16--
196PF00557_MAP1_ECOL645 100% 0.803 PF00557 C1_S150 - (0)20 - / 2 / 41 26--
197PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
198PF00026_RENI1_MOUSE45 95% 0.421 PF00026 C7_S176 - (0)20 17 / 25 / 2 21--
199PF00089_THRB_BOVIN45 100% 0.371 PF00089 C4_S187 - (0)20 14 / 40 / 13 13--
200PF01593_AOFB_BOVIN45 92% 0.816 PF01593 C1_S1110 - (73)10 45 / 4 / 30 11--

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