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)
350PF03119_DNLJ_STAAU17 100% 0.452 PF03119 C1_S124 - (9)16 - / 11 / 8 11--
351PF00105_THB_HUMAN15 100% 0.302 PF00105 C2_S140 - (0)9 5 / 10 / - 6--
352PF00962_ADA_MOUSE27 100% 0.823 PF00962 C6_S146 - (16)20 2 / 9 / 14 17--
353PF00074_RNAS1_HUMAN19 100% 0.405 PF00074 C8_S123 - (0)18 - / 4 / 13 8 8 0.22
354PF00105_ERR3_HUMAN32 100% 0.314 PF00105 C5_S162 - (0)13 2 / 20 / 12 7--
355PF00069_CDK5_HUMAN19 100% 0.520 PF00069 C1_S138 - (6)18 1 / 3 / 16 11 10 -0.57
356PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
357PF01327_DEF_STAAM14 100% 0.778 PF01327 C2_S129 - (3)12 - / 4 / 8 6--
358PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
359PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
360PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
361PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
362PF00186_DYR_STAAM50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
363PF00685_ST1E1_MOUSE22 100% 0.567 PF00685 C1_S163 - (48)8 22 / 5 / 7 6--
364PF01327_DEF_ECO2750 100% 0.770 PF01327 C5_S164 - (10)20 - / 15 / 28 9--
365PF00186_DYR_HUMAN65 100% 0.848 PF00186 C4_S1146 - (84)20 58 / 44 / 16 37--
366PF08515_TGFR1_MOUSE16 100% 0.351 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
367PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
368PF02146_HST2_YEAST25 100% 0.461 PF02146 C3_S169 - (28)19 15 / 20 / 11 7--
369PF00089_UROK_HUMAN48 100% 0.475 PF00089 C2_S162 - (0)20 - / 18 / 24 27--
370PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
371PF00613_PK3CG_HUMAN7 100% 0.402 PF00613 C2_S18 - (1)7 - / 5 / 2 7--
372PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--
373PF00084_GABR1_HUMAN8 100% 0.243 PF00084 C2_S132 - (0)8 - / 2 / 6 8--
374PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
375PF00149_PP2AA_HUMAN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
376PF00303_DRTS_TRYCR15 100% 0.540 PF00303 C6_S127 - (15)11 - / 3 / 16 7--
377PF00491_ARGI2_HUMAN27 100% 0.520 PF00491 C3_S131 - (20)16 - / - / 20 8--
378PF07952_BXA1_CLOBO21 100% 0.426 PF07952 C1_S124 - (0)9 1 / 8 / 12 7--
379PF00450_PPGB_HUMAN10 100% 0.726 PF00450 C2_S130 - (9)11 - / - / 8 6--
380PF01048_MTNN_STAA219 100% 0.618 PF01048 C1_S141 - (23)17 - / 8 / 10 8--
381PF00069_MAPK2_HUMAN14 100% 0.367 PF00069 C1_S132 - (9)14 - / 10 / 5 11 4 0.80
382PF02196_BRAF_HUMAN55 100% 0.198 PF02196 C2_S174 - (4)20 18 / 32 / 4 25--
383PF00433_KS6A1_HUMAN26 100% 0.247 PF00433 C1_S140 - (9)20 - / 23 / 3 11--
384PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
385PF01467_NADD_BACAA20 100% 0.644 PF01467 C1_S144 - (23)17 10 / 2 / 8 6--
386PF00656_CASP6_HUMAN28 100% 0.445 PF00656 C4_S140 - (0)9 - / 11 / 14 7--
387PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
388PF00439_BRD3_HUMAN56 100% 0.119 PF00439 C7_S183 - (0)20 - / 19 / 26 23--
389PF07647_EPHA4_MOUSE28 100% 0.171 PF00536 C2_S128 - (10)20 1 / 14 / 11 15--
390PF00183_HS90A_HUMAN27 100% 0.406 PF00183 C1_S129 - (0)20 1 / 16 / 10 24--
391PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
392PF01471_MMP16_HUMAN13 100% 0.398 PF01471 C1_S122 - (0)12 4 / 9 / 3 7--
393PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
394PF00069_NEK2_HUMAN19 100% 0.312 PF00069 C1_S144 - (0)20 1 / 15 / 4 16 23 0.38
395PF01030_ERBB4_HUMAN56 100% 0.269 PF01030 C3_S161 - (13)20 13 / 23 / 19 24--
396PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
397PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
398PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
399PF00645_PARP1_HUMAN17 100% 0.323 PF00645 C1_S132 - (11)17 - / 12 / 7 13--
400PF00089_THRB_HUMAN45 100% 0.378 PF00089 C5_S184 - (0)20 15 / 40 / 12 17--

<< Page / 21 >> - Show