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)
300PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
301PF00233_PDE9A_HUMAN35 100% 0.306 PF00233 C5_S154 - (8)20 - / 12 / 28 10--
302PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
303PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
304PF00105_NR1H4_HUMAN35 100% 0.338 PF00105 C4_S158 - (0)20 30 / 3 / - 17--
305PF00089_TRY1_HUMAN35 99% 0.821 PF00089 C1_S149 - (0)16 - / 4 / 27 9--
306PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
307PF00194_CAH1_HUMAN35 100% 0.838 PF00194 C2_S155 - (3)20 - / - / 26 13--
308PF00856_EHMT2_MOUSE34 99% 0.111 PF00856 C2_S160 - (32)15 7 / 47 / 4 7--
309PF00105_RXRB_HUMAN34 100% 0.340 PF00105 C5_S150 - (0)20 19 / 10 / 5 17--
310PF00105_RXRB_MOUSE34 98% 0.335 PF00105 C4_S150 - (0)20 19 / 10 / 5 17--
311PF00303_TYSY_RAT34 100% 0.771 PF00303 C6_S167 - (33)14 - / 12 / 34 6--
312PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
313PF00018_TXK_HUMAN34 66% 0.351 PF00018 C1_S140 - (4)20 6 / 22 / 7 26 28 0.19
314PF00105_RXRB_RAT34 98% 0.381 PF00105 C2_S142 - (0)20 18 / 11 / 5 17--
315PF00061_RABP2_MOUSE34 93% 0.537 PF00061 C9_S145 - (0)20 - / 11 / 19 13 7 -0.32
316PF00233_PDE5A_RAT34 96% 0.216 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
317PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
318PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
319PF00233_PDE5A_HUMAN34 100% 0.211 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
320PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
321PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
322PF00233_PDE5A_BOVIN34 98% 0.205 PF00233 C3_S156 - (5)20 1 / 28 / 9 17--
323PF02798_HPGDS_HUMAN34 100% 0.756 PF02798 C1_S136 - (0)20 - / 18 / 17 17--
324PF00856_EHMT2_HUMAN34 100% 0.115 PF00856 C2_S160 - (32)15 7 / 47 / 4 7--
325PF02798_HPGDS_MOUSE34 80% 0.607 PF02798 C1_S136 - (0)20 - / 18 / 17 17--
326PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
327PF01048_MTNN_KLEP333 97% 0.689 PF01048 C2_S159 - (31)20 - / 18 / 14 10--
328PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
329PF07686_VGFR2_HUMAN33 100% 0.131 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
330PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--
331PF07686_VGFR2_MOUSE33 96% 0.129 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
332PF07714_VGFR2_RAT33 95% 0.134 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
333PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
334PF00536_EPHB4_HUMAN33 100% 0.179 PF00536 C1_S140 - (13)20 1 / 19 / 13 17--
335PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
336PF03331_LPXC_PSEA833 100% 0.525 PF03331 C1_S146 - (0)20 - / 30 / 7 15--
337PF00069_GSK3A_HUMAN33 86% 0.589 PF00069 C1_S158 - (14)20 1 / 16 / 16 17 21 -0.19
338PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
339PF00303_TYSY_MOUSE33 100% 0.724 PF00303 C7_S165 - (32)14 - / 12 / 33 6--
340PF00068_PA2A2_NAJNA33 96% 0.511 PF00068 C8_S146 - (12)20 - / 3 / 19 6--
341PF00856_EHMT1_HUMAN33 100% 0.105 PF00856 C2_S160 - (32)17 6 / 46 / 4 7--
342PF00105_RXRA_RAT33 100% 0.451 PF00105 C4_S149 - (0)20 16 / 13 / 4 15--
343PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
344PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
345PF00536_EPHB2_HUMAN32 99% 0.167 PF00536 C2_S139 - (13)20 1 / 18 / 13 18--
346PF00105_ERR2_HUMAN32 79% 0.267 PF00105 C5_S163 - (0)13 - / 18 / 16 7--
347PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
348PF00183_HSP82_YEAST32 100% 0.400 PF00183 C2_S136 - (0)20 - / 15 / 15 12--
349PF00337_LEG3_HUMAN32 100% 0.323 PF00337 C5_S148 - (0)11 - / - / 30 7--
350PF01712_DNK_DROME32 100% 0.621 PF01712 C1_S165 - (49)20 10 / 8 / 18 12--

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