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)
400PF00342_G6PI_RABIT29 100% 0.678 PF00342 C3_S134 - (33)19 - / - / 25 10--
401PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
402PF13931_KIF11_HUMAN44 100% 0.182 PF13931 C1_S175 - (0)20 3 / 55 / 10 21--
403PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
404PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
405PF13288_DXR_ECOLI22 100% 0.824 PF13288 C1_S135 - (16)11 11 / 3 / 21 9--
406PF00092_ITAL_HUMAN23 100% 0.228 PF00092 C1_S126 - (0)20 1 / 15 / 6 10--
407PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
408PF00074_RNS_BOVIN36 100% 0.478 PF00074 C8_S143 - (0)20 - / 4 / 26 13 5 0.03
409PF12549_TY3H_RAT12 100% 0.565 PF00351 C1_S117 - (13)12 - / - / 16 7--
410PF00211_ADCY2_RAT18 100% 0.102 PF00211 C1_S145 - (15)13 - / - / 29 6--
411PF00850_HDAC2_HUMAN13 100% 0.468 PF00850 C1_S126 - (0)13 - / 5 / 9 6--
412PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
413PF00102_PTN3_HUMAN12 100% 0.153 PF00102 C2_S117 - (0)11 - / 3 / 7 9--
414PF00069_TTK_HUMAN7 100% 0.178 PF00069 C1_S135 - (10)10 1 / 4 / 7 7 15 -0.13
415PF00303_TYSY_ENTFA49 100% 0.595 PF00303 C7_S162 - (48)20 - / 2 / 58 12--
416PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
417PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
418PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
419PF00186_DYR_STAAU50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
420PF08515_BMR1B_HUMAN16 100% 0.310 PF08515 C1_S119 - (0)17 1 / 14 / 1 13--
421PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
422PF00194_CAH13_HUMAN22 100% 0.551 PF00194 C2_S138 - (4)18 - / - / 15 9--
423PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
424PF00105_RXRB_HUMAN34 100% 0.340 PF00105 C5_S150 - (0)20 19 / 10 / 5 17--
425PF00413_MMP11_MOUSE14 100% 0.395 PF01471 C1_S136 - (0)12 2 / 8 / 6 7--
426PF00183_HS90A_MOUSE27 100% 0.407 PF00183 C1_S128 - (0)20 1 / 17 / 10 24--
427PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--
428PF00069_CDK5_HUMAN19 100% 0.520 PF00069 C1_S138 - (6)18 1 / 3 / 16 11 10 -0.57
429PF00074_RNAS1_BOVIN29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 21 0.59
430PF02825_PAR14_HUMAN21 100% 0.050 PF02825 C2_S127 - (1)14 - / 9 / 13 8--
431PF00619_BIRC3_HUMAN30 100% 0.259 PF00619 C3_S142 - (0)20 - / 26 / 5 10--
432PF12549_TY3H_HUMAN12 100% 0.536 PF00351 C1_S115 - (14)10 - / - / 15 7--
433PF00653_XIAP_HUMAN59 100% 0.464 PF00653 C13_S1104 - (0)18 1 / 35 / 23 11--
434PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
435PF01712_DNK_DROME32 100% 0.621 PF01712 C1_S165 - (49)20 10 / 8 / 18 12--
436PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
437PF00071_RASH_HUMAN67 100% 0.713 PF00071 C1_S188 - (4)11 40 / 25 / 3 7--
438PF00248_ALDR_PIG68 100% 0.819 PF00248 C5_S1138 - (74)20 73 / 26 / 11 25--
439PF10391_DPOLB_HUMAN60 100% 0.762 PF10391 C1_S1181 - (160)12 - / 2 / 66 12--
440PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
441PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
442PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
443PF00069_NEK2_HUMAN19 100% 0.312 PF00069 C1_S144 - (0)20 1 / 15 / 4 16 23 0.38
444PF00074_RNAS2_HUMAN10 100% 0.406 PF00074 C4_S114 - (0)10 - / 2 / 7 6--
445PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
446PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
447PF07714_JAK3_HUMAN17 100% 0.134 PF00017 C1_S117 - (0)17 1 / 11 / 5 16--
448PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
449PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
450PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10

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