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)
150PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
151PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
152PF00061_FABP4_RAT28 93% 0.593 PF00061 C2_S137 - (0)20 - / 10 / 17 22 2 -
153PF02196_RAF1_HUMAN54 100% 0.172 PF02196 C2_S172 - (5)20 18 / 32 / 4 22--
154PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
155PF02898_NOS3_HUMAN60 100% 0.250 PF02898 C1_S1212 - (12)20 60 / - / 69 22--
156PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
157PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
158PF00186_DYR_CANAX39 99% 0.788 PF00186 C3_S1110 - (52)15 37 / 24 / 17 22--
159PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
160PF00105_ANDR_MOUSE65 100% 0.208 PF00105 C4_S1125 - (0)20 3 / 67 / 23 22--
161PF01433_LKHA4_CAVPO43 93% 0.776 PF01433 C6_S176 - (0)20 1 / 28 / 19 22--
162PF00069_CSK21_RAT49 100% 0.665 PF00069 C1_S185 - (14)20 3 / 22 / 20 22 25 0.03
163PF00248_ALDR_BOVIN66 90% 0.838 PF00248 C7_S1140 - (73)20 74 / 23 / 10 22--
164PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
165PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
166PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
167PF00017_JAK2_HUMAN29 99% 0.135 PF00017 C2_S136 - (5)20 3 / 23 / 4 21 294 0.18
168PF00787_SGK3_HUMAN28 73% 0.321 PF00433 C2_S160 - (8)20 1 / 35 / 9 21--
169PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
170PF13931_KIF11_HUMAN44 100% 0.182 PF13931 C1_S175 - (0)20 3 / 55 / 10 21--
171PF01471_MMP13_BOVIN57 96% 0.446 PF01471 C3_S191 - (0)20 29 / 24 / 5 21--
172PF00026_RENI1_MOUSE45 95% 0.421 PF00026 C7_S176 - (0)20 17 / 25 / 2 21--
173PF00433_AKT3_HUMAN29 86% 0.396 PF00433 C1_S162 - (8)20 3 / 40 / 9 21--
174PF00433_AKT1_HUMAN29 100% 0.400 PF00433 C1_S162 - (8)20 4 / 40 / 10 21--
175PF00433_AKT1_MOUSE29 98% 0.398 PF00433 C1_S162 - (8)20 4 / 40 / 10 21--
176PF07647_TNKS1_HUMAN49 100% 0.072 PF07647 C2_S159 - (0)20 30 / 13 / 10 21--
177PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
178PF01471_MMP3_HUMAN37 100% 0.513 PF01471 C3_S146 - (0)20 4 / 12 / 17 20--
179PF00018_LCK_MOUSE58 97% 0.568 PF00018 C2_S173 - (4)20 23 / 30 / 5 20 2 -1.00
180PF02244_CBPA1_BOVIN42 100% 0.749 PF02244 C2_S150 - (0)20 1 / 5 / 38 20--
181PF01471_MMP10_HUMAN37 100% 0.459 PF01471 C2_S146 - (0)20 4 / 7 / 21 20--
182PF00433_SGK1_HUMAN30 99% 0.368 PF00433 C1_S159 - (9)20 3 / 35 / 6 20--
183PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
184PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
185PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
186PF00161_RICI_RICCO30 100% 0.378 PF00161 C2_S134 - (0)20 1 / 6 / 17 20--
187PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
188PF01433_LKHA4_HUMAN43 100% 0.786 PF01433 C5_S176 - (0)20 1 / 27 / 20 20--
189PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
190PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
191PF00069_KGP1_BOVIN21 45% 0.252 PF00069 C2_S147 - (6)20 - / 22 / 13 19--
192PF00433_SGK2_HUMAN27 72% 0.375 PF00433 C1_S155 - (8)20 1 / 30 / 6 19--
193PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
194PF00089_PROC_HUMAN24 100% 0.273 PF00089 C1_S130 - (0)20 - / 10 / 14 19--
195PF07714_MERTK_HUMAN25 100% 0.156 PF07714 C1_S126 - (3)20 8 / 12 / 5 19--
196PF02244_CBPA1_HUMAN42 100% 0.569 PF02244 C3_S150 - (0)20 - / 5 / 31 19--
197PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
198PF01048_PNPH_BOVIN39 100% 0.798 PF01048 C6_S154 - (30)20 - / 7 / 34 19--
199PF00089_THRB_RAT49 97% 0.369 PF00089 C5_S191 - (0)20 10 / 53 / 13 19--
200PF02569_PANC_MYCTU66 99% 0.862 PF02569 C7_S1134 - (97)20 11 / 24 / 23 19--

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