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)
350PF00018_FGR_HUMAN66 79% 0.507 PF00018 C2_S176 - (4)20 20 / 33 / 12 33 45 0.25
351PF01234_PNMT_BOVIN61 85% 0.506 PF01234 C2_S1133 - (84)20 - / 63 / 49 29--
352PF01180_PYRD_HUMAN29 100% 0.506 PF01180 C4_S1113 - (67)6 30 / 24 / 33 23--
353PF00693_KITH_HHV2322 77% 0.505 PF00693 C5_S146 - (40)20 1 / 4 / 23 13--
354PF00089_CTRC_HUMAN14 100% 0.504 PF00089 C1_S123 - (0)10 - / - / 7 7 33 -0.01
355PF00089_MCPT9_MOUSE17 70% 0.503 PF00089 C1_S130 - (0)14 - / 4 / 11 9--
356PF01471_MMP13_HUMAN57 100% 0.502 PF01471 C3_S191 - (0)20 28 / 24 / 5 18--
357PF00709_PURA2_HUMAN30 100% 0.502 PF00709 C1_S163 - (48)17 - / 35 / 23 8--
358PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
359PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
360PF01471_MMP12_RABIT54 77% 0.501 PF01471 C2_S1130 - (0)20 6 / 32 / 32 34--
361PF00069_AURKC_HUMAN65 84% 0.501 PF00069 C1_S184 - (12)20 5 / 45 / 16 44 49 0.41
362PF00069_MP2K2_HUMAN37 86% 0.500 PF00069 C1_S189 - (35)20 5 / 41 / 17 13 31 0.26
363PF00067_CP2CJ_HUMAN22 99% 0.499 PF00067 C7_S175 - (13)9 23 / 3 / 9 11 16 0.82
364PF00069_CDK4_HUMAN17 100% 0.499 PF00069 C1_S129 - (7)18 - / 7 / 9 12 89 -0.03
365PF00069_MK11_MOUSE44 96% 0.498 PF00069 C1_S149 - (0)20 11 / 28 / 5 36--
366PF01425_FAAH1_RAT35 100% 0.497 PF01425 C3_S144 - (0)20 4 / 17 / 14 16--
367PF00018_FYN_HUMAN63 84% 0.497 PF00018 C3_S174 - (4)20 21 / 30 / 11 31 45 0.11
368PF00693_KITH_HHV1S22 99% 0.497 PF00693 C4_S143 - (37)18 1 / 4 / 21 10--
369PF00693_KITH_HHV123 99% 0.497 PF00693 C1_S146 - (38)19 1 / 4 / 21 10--
370PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
371PF00067_CP2C9_HUMAN22 99% 0.495 PF00067 C4_S175 - (13)8 22 / 3 / 8 11 28 0.50
372PF00061_FABP5_HUMAN19 100% 0.495 PF00061 C4_S131 - (0)14 - / 7 / 12 9 9 0.12
373PF00105_PPARA_RAT30 92% 0.494 PF00105 C2_S166 - (0)20 6 / 12 / 12 14--
374PF00069_CDK1_YEAST25 63% 0.493 PF00069 C1_S139 - (11)20 1 / 9 / 16 12--
375PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
376PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
377PF00693_KITH_HHV1122 100% 0.491 PF00693 C4_S147 - (41)18 1 / 4 / 21 10--
378PF02244_CBPB2_HUMAN20 99% 0.491 PF02244 C2_S126 - (0)19 1 / 3 / 13 11--
379PF00089_TRYB1_MOUSE44 78% 0.490 PF00089 C1_S166 - (0)20 - / 15 / 21 9--
380PF00194_CAH3_BOVIN22 85% 0.490 PF00194 C1_S137 - (3)20 - / - / 17 13--
381PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
382PF13419_HYES_MOUSE21 100% 0.488 PF13419 C1_S126 - (0)20 - / 14 / 7 16--
383PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
384PF01180_PYRD_RAT29 100% 0.487 PF01180 C3_S1114 - (68)19 30 / 23 / 33 25--
385PF01593_AOFA_RAT39 99% 0.486 PF01593 C1_S1105 - (65)10 39 / 4 / 28 12--
386PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
387PF02180_B2CL2_HUMAN14 99% 0.485 PF02180 C1_S129 - (0)15 7 / 5 / 5 8--
388PF02180_B2CL2_CANFA14 99% 0.485 PF02180 C2_S129 - (0)15 7 / 5 / 5 8--
389PF00069_CDPK1_PLAF718 93% 0.485 PF00069 C1_S124 - (6)16 - / 11 / 10 15 20 -0.02
390PF01150_ENTP1_HUMAN9 75% 0.482 PF01150 C3_S129 - (0)13 - / 8 / 8 6--
391PF00061_LACB_BOVIN23 100% 0.482 PF00061 C4_S140 - (0)20 - / 3 / 19 15 2 1.00
392PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
393PF00069_MK11_HUMAN41 99% 0.482 PF00069 C1_S152 - (5)20 14 / 23 / 4 34 29 0.53
394PF00693_KITH_VZVD13 99% 0.482 PF00693 C2_S155 - (42)10 1 / 4 / 13 8--
395PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
396PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
397PF00074_RNS_BOVIN36 100% 0.478 PF00074 C8_S143 - (0)20 - / 4 / 26 13 5 0.03
398PF00494_FDFT_RAT12 86% 0.478 PF00494 C5_S117 - (0)10 9 / 3 / 1 7--
399PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
400PF00089_CEL2A_RAT15 82% 0.477 PF00089 C1_S124 - (0)10 - / - / 8 6--

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