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)
150PF00068_PA21B_MOUSE48 81% 0.426 PF00068 C9_S193 - (0)20 - / 8 / 31 15--
151PF00069_CDK16_HUMAN25 99% 0.303 PF00069 C1_S138 - (9)20 1 / 12 / 10 17 34 -0.21
152PF00659_PLK3_HUMAN18 100% 0.231 PF00659 C1_S140 - (6)20 5 / 10 / 5 17--
153PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
154PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
155PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
156PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
157PF00233_PDE4B_RAT54 99% 0.352 PF00233 C7_S179 - (9)20 6 / 22 / 20 24--
158PF01471_MMP10_HUMAN37 100% 0.459 PF01471 C2_S146 - (0)20 4 / 7 / 21 20--
159PF00089_UROK_MOUSE55 71% 0.313 PF00089 C3_S1100 - (0)20 - / 11 / 49 40--
160PF00433_KPCA_RAT23 99% 0.374 PF00433 C1_S151 - (13)20 - / 23 / 11 14--
161PF00273_ALBU_HUMAN38 100% 0.707 PF00273 C4_S168 - (0)20 - / 7 / 14 12--
162PF08127_CATB_MOUSE26 92% 0.438 PF08127 C1_S142 - (0)20 - / 1 / 24 11--
163PF01562_ADA17_RAT41 95% 0.172 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
164PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
165PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
166PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
167PF03098_PGH1_RABIT37 89% 0.454 PF03098 C1_S174 - (4)20 - / 27 / 22 15--
168PF00194_CAH2_BOVIN61 100% 0.526 PF00194 C8_S194 - (3)20 - / 5 / 54 40--
169PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
170PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
171PF00018_LCK_MOUSE58 97% 0.568 PF00018 C2_S173 - (4)20 23 / 30 / 5 20 2 -1.00
172PF00194_CAH2_RAT67 81% 0.582 PF00194 C7_S1100 - (3)20 - / 7 / 58 45--
173PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
174PF00105_ESR1_RAT55 96% 0.303 PF00105 C5_S178 - (0)20 8 / 37 / 10 24--
175PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
176PF00107_ADH1B_HUMAN53 100% 0.772 PF00107 C1_S1114 - (70)20 33 / 3 / 30 12--
177PF00064_NRAM_INBMF24 98% 0.653 PF00064 C3_S126 - (9)20 - / 2 / 21 18--
178PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
179PF01433_LKHA4_CAVPO43 93% 0.776 PF01433 C6_S176 - (0)20 1 / 28 / 19 22--
180PF00089_CELA1_HUMAN54 89% 0.467 PF00089 C2_S1104 - (0)20 2 / 1 / 39 12 7 0.70
181PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10
182PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
183PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
184PF00069_MP2K1_HUMAN37 100% 0.469 PF00069 C1_S186 - (33)20 5 / 40 / 17 10 22 0.30
185PF07714_VGFR2_RAT33 95% 0.134 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
186PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
187PF00194_CAH3_BOVIN22 85% 0.490 PF00194 C1_S137 - (3)20 - / - / 17 13--
188PF00089_THRB_MOUSE44 99% 0.373 PF00089 C4_S181 - (0)20 16 / 42 / 11 17--
189PF00433_KPCD_HUMAN23 72% 0.279 PF00433 C2_S150 - (12)20 - / 22 / 11 15--
190PF00069_MK10_RAT37 99% 0.382 PF00069 C2_S150 - (7)20 10 / 16 / 10 26--
191PF10613_GRIA2_RAT31 100% 0.406 PF10613 C1_S133 - (0)20 - / - / 16 7--
192PF00089_FA10_RAT46 86% 0.307 PF00089 C4_S154 - (0)20 2 / 38 / 4 34--
193PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
194PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
195PF08515_ACVL1_MOUSE21 96% 0.313 PF08515 C1_S125 - (0)20 2 / 17 / 3 13--
196PF00248_AK1C1_HUMAN52 100% 0.855 PF00248 C8_S1121 - (85)20 49 / 8 / 31 26--
197PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
198PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
199PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
200PF00186_DYR_PNECA47 100% 0.803 PF00186 C4_S1116 - (59)20 44 / 27 / 20 39--

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