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)
200PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
201PF00351_PH4H_HUMAN14 100% 0.610 PF00351 C4_S120 - (16)12 - / - / 17 7--
202PF02274_DDAH1_HUMAN14 100% 0.609 PF02274 C1_S118 - (14)15 - / - / 12 6--
203PF00351_PH4H_RAT14 100% 0.609 PF00351 C1_S120 - (16)12 - / - / 17 7--
204PF01048_MTAP_HUMAN10 100% 0.608 PF01048 C4_S142 - (18)10 - / 2 / 11 6--
205PF02798_HPGDS_MOUSE34 80% 0.607 PF02798 C1_S136 - (0)20 - / 18 / 17 17--
206PF01327_DEF_HAEIN27 66% 0.605 PF01327 C3_S142 - (10)19 - / 12 / 13 9--
207PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
208PF13193_LUCI_PHOPY15 100% 0.603 PF13193 C1_S128 - (8)12 8 / 4 / 3 7--
209PF02146_SIR2_HUMAN28 100% 0.600 PF02146 C1_S169 - (22)20 14 / 13 / 8 9--
210PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
211PF00850_HDAC8_MOUSE35 96% 0.596 PF00850 C5_S170 - (0)12 - / 5 / 26 7--
212PF00303_TYSY_ENTFA49 100% 0.595 PF00303 C7_S162 - (48)20 - / 2 / 58 12--
213PF00061_FABP4_RAT28 93% 0.593 PF00061 C2_S137 - (0)20 - / 10 / 17 22 2 -
214PF00069_PHO85_YEAST20 100% 0.593 PF00069 C1_S127 - (9)20 - / 7 / 11 13--
215PF00303_DRTS_PLAFK25 100% 0.592 PF00303 C6_S155 - (29)13 24 / 11 / 14 9--
216PF00082_PRTK_ENGAL28 100% 0.591 PF00082 C2_S141 - (0)17 - / - / 20 8--
217PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
218PF00186_DYR_STAAW50 98% 0.589 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
219PF00069_GSK3A_HUMAN33 86% 0.589 PF00069 C1_S158 - (14)20 1 / 16 / 16 17 21 -0.19
220PF01327_DEF_MYCTU20 100% 0.584 PF01327 C1_S138 - (5)17 - / 5 / 13 7--
221PF00069_CDC2H_PLAF719 100% 0.584 PF00069 C1_S134 - (6)18 1 / 3 / 17 10 3 -0.87
222PF00248_AK1C4_HUMAN65 99% 0.583 PF00248 C7_S1152 - (105)20 62 / 2 / 39 28--
223PF00194_CAH2_RAT67 81% 0.582 PF00194 C7_S1100 - (3)20 - / 7 / 58 45--
224PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
225PF00850_HDAH_ALCSD10 99% 0.579 PF00850 C6_S118 - (0)11 - / 2 / 10 8--
226PF13640_EGLN3_HUMAN11 66% 0.578 PF01753 C1_S114 - (0)10 1 / 6 / 6 8--
227PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
228PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
229PF08127_CATB_RAT26 99% 0.575 PF08127 C1_S142 - (0)20 - / 1 / 24 10--
230PF01048_MTAP_MOUSE10 94% 0.574 PF01048 C5_S141 - (15)10 - / 2 / 11 6--
231PF07714_RET_HUMAN17 100% 0.573 PF07714 C1_S121 - (4)16 - / 11 / 7 15--
232PF00273_ALBU_RAT38 75% 0.573 PF00273 C6_S168 - (0)20 - / 10 / 15 11--
233PF00648_CAN1_RAT13 99% 0.572 PF00648 C1_S117 - (0)10 - / 1 / 9 6--
234PF00018_LCK_HUMAN58 100% 0.572 PF00018 C2_S173 - (4)20 23 / 30 / 5 15 146 0.42
235PF00440_ETHR_MYCS216 63% 0.570 PF00440 C1_S135 - (0)18 3 / 11 / 1 14--
236PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
237PF02244_CBPA1_HUMAN42 100% 0.569 PF02244 C3_S150 - (0)20 - / 5 / 31 19--
238PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
239PF00018_LCK_MOUSE58 97% 0.568 PF00018 C2_S173 - (4)20 23 / 30 / 5 20 2 -1.00
240PF00685_ST1E1_MOUSE22 100% 0.567 PF00685 C1_S163 - (48)8 22 / 5 / 7 6--
241PF13288_DXR_MYCS221 77% 0.567 PF13288 C1_S133 - (16)16 13 / 3 / 16 8--
242PF01266_OXDA_MOUSE10 81% 0.567 PF01266 C1_S165 - (37)6 10 / 1 / 7 6--
243PF13419_HYES_HUMAN21 100% 0.566 PF13419 C1_S130 - (0)20 3 / 12 / 6 16--
244PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
245PF00067_CP3A4_HUMAN14 100% 0.566 PF00067 C3_S177 - (8)7 15 / 8 / 4 7 15 0.33
246PF12549_TY3H_BOVIN12 91% 0.565 PF00351 C1_S117 - (13)12 - / - / 16 7--
247PF12549_TY3H_RAT12 100% 0.565 PF00351 C1_S117 - (13)12 - / - / 16 7--
248PF00149_PP2AA_HUMAN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
249PF00149_PP2AA_BOVIN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
250PF01266_OXDA_RAT10 81% 0.564 PF01266 C1_S168 - (36)6 10 / 1 / 8 6--

<< Page / 21 >> - Show