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)
350PF00089_FA10_RAT46 86% 0.307 PF00089 C4_S154 - (0)20 2 / 38 / 4 34--
351PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
352PF00233_PDE9A_HUMAN35 100% 0.306 PF00233 C5_S154 - (8)20 - / 12 / 28 10--
353PF00105_MCR_RAT30 94% 0.152 PF00105 C4_S154 - (0)17 1 / 28 / 2 12--
354PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
355PF00156_HGXR_PLAFG23 100% 0.845 PF00156 C3_S154 - (32)20 - / 13 / 22 11--
356PF01048_PNPH_BOVIN39 100% 0.798 PF01048 C6_S154 - (30)20 - / 7 / 34 19--
357PF00704_CHIA_SERMA16 100% 0.796 PF00704 C1_S154 - (20)19 3 / 4 / 12 6--
358PF00439_BRD2_HUMAN43 100% 0.084 PF00439 C6_S154 - (0)20 - / 15 / 20 15--
359PF00069_ST32B_HUMAN13 71% 0.439 PF00069 C1_S154 - (11)14 - / 10 / 6 8 5 -0.03
360PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
361PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
362PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
363PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
364PF00105_ERR1_HUMAN18 100% 0.287 PF00105 C1_S153 - (0)13 2 / 15 / 4 8--
365PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
366PF00105_MCR_HUMAN29 99% 0.146 PF00105 C5_S153 - (0)16 1 / 28 / 3 8--
367PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
368PF03414_GGTA1_PIG31 88% 0.639 PF03414 C1_S153 - (46)19 - / 27 / 20 9--
369PF03414_GGTA1_BOVIN31 100% 0.636 PF03414 C1_S153 - (46)13 - / 27 / 20 8--
370PF00089_TRY3_HUMAN37 99% 0.657 PF00089 C1_S153 - (0)18 - / 4 / 27 9--
371PF00215_PYRF_YEAST22 100% 0.787 PF00215 C2_S152 - (46)20 - / 5 / 22 11--
372PF00433_KPCT_HUMAN23 100% 0.257 PF00433 C1_S152 - (10)20 - / 26 / 9 15--
373PF00069_MK09_HUMAN32 97% 0.398 PF00069 C1_S152 - (6)11 4 / 23 / 11 9 9 0.23
374PF00343_PYGM_HUMAN28 97% 0.809 PF00343 C4_S152 - (10)20 - / 11 / 37 19--
375PF00069_MK11_HUMAN41 99% 0.482 PF00069 C1_S152 - (5)20 14 / 23 / 4 34 29 0.53
376PF00433_KPCI_HUMAN24 100% 0.347 PF00433 C2_S152 - (10)20 2 / 13 / 21 19--
377PF00294_ADK_RAT20 91% 0.673 PF00294 C1_S152 - (40)17 3 / 15 / 9 8--
378PF00603_PA_I34A140 97% 0.151 PF00603 C10_S152 - (0)20 - / - / 35 15--
379PF00089_FA10_RABIT44 84% 0.295 PF00089 C3_S152 - (0)20 2 / 36 / 4 30--
380PF00704_CHIT1_HUMAN17 100% 0.635 PF00704 C1_S152 - (20)18 - / 2 / 19 11--
381PF00069_CDKL1_HUMAN27 98% 0.436 PF00069 C1_S152 - (7)20 - / 12 / 15 16 3 -0.69
382PF00294_ADK_HUMAN20 100% 0.761 PF00294 C1_S152 - (40)16 4 / 15 / 10 8--
383PF00069_CDK8_HUMAN22 100% 0.394 PF00069 C1_S152 - (7)20 2 / 6 / 14 13 11 -0.08
384PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
385PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
386PF00433_KPCL_HUMAN23 100% 0.290 PF00433 C1_S151 - (12)20 - / 25 / 12 16--
387PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
388PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
389PF03414_GGTA1_MOUSE30 79% 0.345 PF03414 C1_S151 - (44)19 - / 26 / 19 9--
390PF00107_ADH7_HUMAN17 100% 0.732 PF00107 C1_S151 - (37)15 15 / - / 10 8--
391PF00433_KPCA_HUMAN23 98% 0.373 PF00433 C1_S151 - (13)20 - / 24 / 10 14--
392PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
393PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
394PF00653_BIRC7_HUMAN39 100% 0.228 PF00653 C1_S151 - (0)20 - / 24 / 10 12--
395PF00433_KPCA_RAT23 99% 0.374 PF00433 C1_S151 - (13)20 - / 23 / 11 14--
396PF00433_KPCA_MOUSE23 98% 0.377 PF00433 C1_S151 - (13)20 - / 26 / 8 14--
397PF00105_RXRB_MOUSE34 98% 0.335 PF00105 C4_S150 - (0)20 19 / 10 / 5 17--
398PF00821_PCKGC_RAT25 100% 0.655 PF00821 C5_S150 - (39)16 13 / 7 / 16 12--
399PF02244_CBPA1_HUMAN42 100% 0.569 PF02244 C3_S150 - (0)20 - / 5 / 31 19--
400PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09

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