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)
400PF01030_IGF1R_RAT27 97% 0.173 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--
401PF01702_TGT_ZYMMO55 99% 0.827 PF01702 C3_S172 - (18)20 2 / 18 / 32 32--
402PF00536_EPHB3_HUMAN35 99% 0.166 PF00536 C1_S144 - (16)20 2 / 18 / 15 19--
403PF01751_GYRB_ECOLI25 100% 0.397 PF01751 C2_S142 - (0)20 2 / 18 / 8 15--
404PF00641_MDM4_HUMAN25 100% 0.122 PF00641 C2_S138 - (0)9 2 / 18 / 3 6--
405PF08515_ACVL1_MOUSE21 96% 0.313 PF08515 C1_S125 - (0)20 2 / 17 / 3 13--
406PF08515_ACVL1_HUMAN20 99% 0.320 PF08515 C2_S123 - (0)19 2 / 17 / 2 13--
407PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
408PF00294_ADK_TOXGO16 99% 0.543 PF00294 C1_S143 - (35)10 2 / 15 / 9 6--
409PF00105_ERR1_HUMAN18 100% 0.287 PF00105 C1_S153 - (0)13 2 / 15 / 4 8--
410PF00069_PAK7_HUMAN24 98% 0.239 PF00069 C1_S155 - (15)18 2 / 14 / 13 11 11 0.35
411PF02786_ACCC_ECOLI25 100% 0.869 PF02786 C1_S133 - (17)19 2 / 14 / 12 12--
412PF00433_KPCI_HUMAN24 100% 0.347 PF00433 C2_S152 - (10)20 2 / 13 / 21 19--
413PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
414PF01220_AROQ_HELPJ23 100% 0.545 PF01220 C5_S134 - (3)16 2 / 13 / 4 8--
415PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
416PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
417PF07714_JAK1_HUMAN17 98% 0.122 PF07714 C1_S118 - (0)17 2 / 12 / 3 16--
418PF07714_JAK1_MOUSE17 94% 0.124 PF07714 C1_S118 - (0)17 2 / 12 / 3 17--
419PF00069_BMPR2_HUMAN12 43% 0.157 PF08515 C1_S137 - (2)19 2 / 11 / 7 14 15 0.21
420PF01471_MMP1_HUMAN17 100% 0.683 PF01471 C1_S124 - (0)15 2 / 10 / 7 10--
421PF00069_STK24_HUMAN19 98% 0.332 PF00069 C1_S140 - (11)20 2 / 10 / 7 14 11 0.40
422PF07973_SYT_YERPE14 88% 0.653 PF07973 C1_S114 - (5)13 2 / 10 / 2 8--
423PF07714_ROS1_HUMAN14 49% 0.055 PF07714 C1_S115 - (0)15 2 / 10 / 2 13--
424PF00962_ADA_MOUSE27 100% 0.823 PF00962 C6_S146 - (16)20 2 / 9 / 14 17--
425PF00962_ADA_HUMAN27 100% 0.770 PF00962 C6_S146 - (16)20 2 / 9 / 13 18--
426PF00962_ADA_BOVIN27 95% 0.777 PF00962 C5_S148 - (16)20 2 / 9 / 13 18--
427PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
428PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
429PF00069_TAOK1_HUMAN18 89% 0.181 PF00069 C1_S136 - (11)18 2 / 9 / 9 12 13 0.60
430PF00069_TBK1_MOUSE14 100% 0.432 PF00069 C1_S139 - (8)12 2 / 9 / 3 7--
431PF00089_FA9_HUMAN22 100% 0.280 PF00089 C1_S134 - (0)18 2 / 8 / 15 13--
432PF01467_COAD_ECOSE22 100% 0.777 PF01467 C1_S142 - (36)14 2 / 8 / 13 7--
433PF00413_MMP11_MOUSE14 100% 0.395 PF01471 C1_S136 - (0)12 2 / 8 / 6 7--
434PF01471_MMP7_HUMAN15 100% 0.845 PF01471 C1_S126 - (0)15 2 / 8 / 6 10--
435PF12474_STK10_HUMAN15 100% 0.163 PF00069 C1_S115 - (0)15 2 / 8 / 5 11--
436PF00536_EPHA2_HUMAN23 100% 0.165 PF00536 C2_S129 - (14)14 2 / 7 / 15 9--
437PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
438PF00069_M3K3_HUMAN14 40% 0.174 PF00069 C1_S130 - (7)17 2 / 7 / 6 11 7 -0.09
439PF00069_M3K14_HUMAN9 100% 0.195 PF00069 C1_S140 - (12)13 2 / 7 / 6 8--
440PF00069_M3K6_HUMAN12 75% 0.097 PF00069 C1_S135 - (6)15 2 / 7 / 6 11 4 0.79
441PF12474_SLK_HUMAN14 98% 0.114 PF00069 C1_S116 - (0)14 2 / 7 / 5 10--
442PF00068_PA2GA_MOUSE19 68% 0.423 PF00068 C4_S130 - (0)18 2 / 7 / 4 10--
443PF12721_RIPK1_HUMAN11 100% 0.222 PF00018 C1_S114 - (0)11 2 / 7 / 2 7--
444PF00069_CDK8_HUMAN22 100% 0.394 PF00069 C1_S152 - (7)20 2 / 6 / 14 13 11 -0.08
445PF00135_ACES_ELEEL20 88% 0.443 PF00135 C1_S130 - (5)20 2 / 6 / 9 11--
446PF00536_EPHA6_HUMAN18 73% 0.159 PF00018 C2_S123 - (9)13 2 / 6 / 9 9--
447PF00102_PTPRG_HUMAN14 100% 0.219 PF00102 C2_S117 - (1)13 2 / 6 / 5 7--
448PF00112_CATL1_BOVIN24 83% 0.466 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--
449PF00112_CATL1_RAT24 79% 0.452 PF00112 C5_S134 - (0)19 2 / 5 / 14 10--
450PF00112_CATL1_MOUSE24 78% 0.438 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--

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