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)
450PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
451PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
452PF00069_DAPK2_HUMAN24 99% 0.432 PF00069 C1_S136 - (15)20 1 / 3 / 17 10 14 0.40
453PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
454PF07647_EPHA3_MOUSE28 96% 0.175 PF00536 C2_S129 - (9)20 1 / 16 / 10 17--
455PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
456PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
457PF02799_NMT_PLAF736 80% 0.473 PF02799 C1_S170 - (0)20 43 / 24 / - 13--
458PF03098_PGH1_RAT37 87% 0.431 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
459PF03331_LPXC_PSEA833 100% 0.525 PF03331 C1_S146 - (0)20 - / 30 / 7 15--
460PF00069_MK01_MOUSE49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
461PF00069_AURKC_HUMAN65 84% 0.501 PF00069 C1_S184 - (12)20 5 / 45 / 16 44 49 0.41
462PF01048_PNPH_MOUSE40 84% 0.623 PF01048 C5_S150 - (25)20 - / - / 37 16--
463PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
464PF00069_MP2K7_HUMAN16 98% 0.353 PF00069 C1_S146 - (22)20 3 / 14 / 10 6--
465PF00233_PDE10_MOUSE55 96% 0.191 PF00233 C3_S170 - (8)20 9 / 27 / 19 37--
466PF00439_BRD2_HUMAN43 100% 0.084 PF00439 C6_S154 - (0)20 - / 15 / 20 15--
467PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
468PF01471_MMP13_RAT56 97% 0.460 PF01471 C3_S190 - (0)20 20 / 31 / 6 18--
469PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
470PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
471PF00026_RENI1_MOUSE45 95% 0.421 PF00026 C7_S176 - (0)20 17 / 25 / 2 21--
472PF00069_MK11_HUMAN41 99% 0.482 PF00069 C1_S152 - (5)20 14 / 23 / 4 34 29 0.53
473PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
474PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
475PF07714_VGFR2_DANRE31 74% 0.133 PF07686 C2_S133 - (0)20 22 / 9 / - 24--
476PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
477PF00233_PDE5A_HUMAN34 100% 0.211 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
478PF00194_CAH2_RAT67 81% 0.582 PF00194 C7_S1100 - (3)20 - / 7 / 58 45--
479PF00536_EPHB2_MOUSE31 99% 0.165 PF00536 C2_S139 - (11)20 1 / 20 / 11 17--
480PF00069_CDK2_HUMAN63 100% 0.809 PF00069 C1_S197 - (7)20 1 / 21 / 37 37 165 0.16
481PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10
482PF00069_CDK16_HUMAN25 99% 0.303 PF00069 C1_S138 - (9)20 1 / 12 / 10 17 34 -0.21
483PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
484PF00433_AKT2_HUMAN39 100% 0.399 PF00433 C1_S177 - (10)20 2 / 49 / 11 25--
485PF10613_GRIA4_HUMAN28 99% 0.402 PF10613 C1_S155 - (0)20 - / - / 15 15--
486PF00069_MK08_RAT37 99% 0.421 PF00069 C1_S150 - (8)20 6 / 19 / 10 29--
487PF13733_B4GT1_HUMAN56 99% 0.627 PF13733 C1_S1157 - (125)20 - / 27 / 73 10--
488PF08127_CATB_RAT26 99% 0.575 PF08127 C1_S142 - (0)20 - / 1 / 24 10--
489PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
490PF00433_KPCL_HUMAN23 100% 0.290 PF00433 C1_S151 - (12)20 - / 25 / 12 16--
491PF07714_VGFR2_RAT33 95% 0.134 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
492PF00069_PIM3_RAT40 75% 0.436 PF00069 C1_S180 - (9)20 - / 23 / 27 33--
493PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
494PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
495PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
496PF07714_MERTK_HUMAN25 100% 0.156 PF07714 C1_S126 - (3)20 8 / 12 / 5 19--
497PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
498PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
499PF00069_KC1G1_HUMAN18 89% 0.369 PF00069 C1_S140 - (5)19 - / 13 / 10 15 14 0.12
500PF02786_ACCC_ECOLI25 100% 0.869 PF02786 C1_S133 - (17)19 2 / 14 / 12 12--

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