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)
400PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
401PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
402PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
403PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
404PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--
405PF00061_RABP2_MOUSE34 93% 0.537 PF00061 C9_S145 - (0)20 - / 11 / 19 13 7 -0.32
406PF00089_TRYB1_MOUSE44 78% 0.490 PF00089 C1_S166 - (0)20 - / 15 / 21 9--
407PF00557_MAP1_ECOL645 100% 0.803 PF00557 C1_S150 - (0)20 - / 2 / 41 26--
408PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
409PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
410PF00232_GBA3_HUMAN24 100% 0.559 PF00232 C2_S158 - (32)20 - / 3 / 22 13--
411PF00787_SGK3_HUMAN28 73% 0.321 PF00433 C2_S160 - (8)20 1 / 35 / 9 21--
412PF00248_ALDR_PIG68 100% 0.819 PF00248 C5_S1138 - (74)20 73 / 26 / 11 25--
413PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
414PF00017_JAK2_HUMAN29 99% 0.135 PF00017 C2_S136 - (5)20 3 / 23 / 4 21 294 0.18
415PF00433_KPCI_HUMAN24 100% 0.347 PF00433 C2_S152 - (10)20 2 / 13 / 21 19--
416PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
417PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
418PF00348_GGPPS_YEAST44 100% 0.422 PF00348 C1_S166 - (26)20 2 / 19 / 26 19--
419PF03098_PGH1_RAT37 87% 0.431 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
420PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
421PF00069_AURKA_HUMAN54 100% 0.353 PF00069 C1_S175 - (10)20 5 / 42 / 6 37 168 -0.18
422PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
423PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
424PF00068_PA21B_MOUSE48 81% 0.426 PF00068 C9_S193 - (0)20 - / 8 / 31 15--
425PF00018_TXK_HUMAN34 66% 0.351 PF00018 C1_S140 - (4)20 6 / 22 / 7 26 28 0.19
426PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
427PF00069_MK11_MOUSE44 96% 0.498 PF00069 C1_S149 - (0)20 11 / 28 / 5 36--
428PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
429PF03331_LPXC_AQUAE29 99% 0.768 PF03331 C1_S149 - (0)20 1 / 6 / 27 16--
430PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
431PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
432PF00092_ITAL_MOUSE23 73% 0.326 PF00092 C4_S126 - (0)20 1 / 16 / 6 10--
433PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
434PF00433_KPCL_HUMAN23 100% 0.290 PF00433 C1_S151 - (12)20 - / 25 / 12 16--
435PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
436PF07714_MERTK_HUMAN25 100% 0.156 PF07714 C1_S126 - (3)20 8 / 12 / 5 19--
437PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
438PF00069_PIM2_HUMAN22 100% 0.443 PF00069 C1_S150 - (5)20 - / 14 / 16 18 104 -0.01
439PF02868_THER_BACTH57 100% 0.473 PF02868 C1_S1140 - (0)20 - / 13 / 50 25--
440PF00186_DYR_ECOL664 100% 0.813 PF00186 C5_S1115 - (88)20 28 / 52 / 10 18--
441PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--
442PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
443PF08127_CATB_RAT26 99% 0.575 PF08127 C1_S142 - (0)20 - / 1 / 24 10--
444PF00069_CSK2A_SCHPO51 71% 0.519 PF00069 C1_S189 - (12)20 - / 20 / 26 29--
445PF01833_MET_CANFA44 99% 0.126 PF01833 C1_S158 - (0)20 30 / 12 / 2 27--
446PF01833_MET_MOUSE44 98% 0.123 PF01833 C1_S157 - (0)20 30 / 12 / 2 31--
447PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
448PF00233_PDE10_HUMAN55 100% 0.199 PF00233 C3_S170 - (8)20 8 / 24 / 23 34--
449PF01471_MMP8_RAT27 78% 0.524 PF01471 C1_S142 - (0)20 8 / 15 / 9 12--
450PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--

<< Page / 21 >> - Show