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)
250PF00149_PP2AA_HUMAN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
251PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--
252PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
253PF00067_CP3A5_HUMAN15 84% 0.563 PF00067 C2_S174 - (8)17 14 / 4 / 12 8 1 -
254PF00303_DRTS_PLABA22 89% 0.562 PF00303 C3_S130 - (23)9 - / 4 / 17 6--
255PF00648_CAN1_HUMAN13 99% 0.562 PF00648 C1_S117 - (0)10 - / 1 / 10 6--
256PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
257PF00069_CDK3_HUMAN61 77% 0.561 PF00069 C1_S187 - (7)20 1 / 21 / 35 33 11 -0.32
258PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
259PF00017_ZAP70_MOUSE23 97% 0.560 PF00017 C1_S136 - (11)17 6 / 11 / 6 15--
260PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
261PF00232_GBA3_HUMAN24 100% 0.559 PF00232 C2_S158 - (32)20 - / 3 / 22 13--
262PF00348_ISPA_ECOLI18 100% 0.559 PF00348 C1_S138 - (22)14 - / 1 / 24 7--
263PF13419_HYES_RAT21 91% 0.558 PF13419 C1_S126 - (0)20 - / 13 / 8 16--
264PF13193_ENTE_ECOLI9 100% 0.558 PF00550 C1_S120 - (0)9 1 / 6 / 6 6--
265PF00067_CP3A6_RABIT14 76% 0.558 PF00067 C2_S179 - (10)15 14 / 9 / 6 8--
266PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
267PF01536_DCAM_RAT44 98% 0.556 PF01536 C3_S160 - (24)20 - / - / 37 12--
268PF00273_ALBU_MOUSE38 76% 0.556 PF00273 C4_S168 - (0)20 - / 6 / 19 11--
269PF00273_ALBU_BOVIN41 99% 0.555 PF00273 C8_S183 - (0)20 - / 7 / 32 15--
270PF00155_AADAT_RAT12 72% 0.555 PF00155 C1_S131 - (17)14 - / - / 12 6--
271PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
272PF00440_ETHR_MYCTU18 100% 0.552 PF00440 C1_S138 - (0)17 8 / 11 / - 14--
273PF00194_CAH13_MOUSE22 92% 0.551 PF00194 C1_S135 - (3)18 - / - / 15 9--
274PF00194_CAH13_HUMAN22 100% 0.551 PF00194 C2_S138 - (4)18 - / - / 15 9--
275PF00018_SRC_MOUSE62 100% 0.550 PF00018 C2_S174 - (4)20 19 / 35 / 9 30--
276PF00069_MK12_HUMAN24 67% 0.549 PF00069 C1_S137 - (6)20 3 / 16 / 5 19 9 -0.19
277PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
278PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47
279PF00017_ZAP70_HUMAN24 100% 0.548 PF00017 C1_S137 - (11)18 7 / 12 / 7 16 31 0.17
280PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
281PF00069_CHK2_HUMAN31 100% 0.547 PF00069 C1_S141 - (9)20 1 / 14 / 15 26 19 0.10
282PF00089_TRY2_BOVIN23 80% 0.546 PF00089 C1_S128 - (0)11 - / 3 / 18 7--
283PF00067_CP343_HUMAN14 76% 0.546 PF00067 C2_S179 - (8)16 14 / 2 / 13 10--
284PF00112_CATL2_HUMAN24 99% 0.546 PF00112 C5_S134 - (0)18 - / 6 / 14 10--
285PF01220_AROQ_HELPJ23 100% 0.545 PF01220 C5_S134 - (3)16 2 / 13 / 4 8--
286PF00018_GRB2_MOUSE57 100% 0.544 PF00018 C4_S176 - (0)19 5 / 49 / 5 9--
287PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
288PF00648_CAN1_PIG13 94% 0.544 PF00648 C1_S117 - (0)10 - / 1 / 9 6--
289PF00069_PHKG1_HUMAN16 95% 0.543 PF00069 C1_S139 - (16)15 - / 6 / 12 9 11 0.16
290PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
291PF13288_DXR_MYCTU23 99% 0.543 PF13288 C1_S137 - (18)9 15 / 2 / 19 9--
292PF00294_ADK_TOXGO16 99% 0.543 PF00294 C1_S143 - (35)10 2 / 15 / 9 6--
293PF01230_HINT1_RAT17 94% 0.541 PF01230 C1_S128 - (0)19 - / 7 / 13 10--
294PF00303_DRTS_TRYCR15 100% 0.540 PF00303 C6_S127 - (15)11 - / 3 / 16 7--
295PF02375_KDM4E_HUMAN24 100% 0.539 PF02375 C3_S159 - (0)15 1 / 6 / 23 10--
296PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
297PF00067_CP2E1_RAT17 79% 0.538 PF00067 C7_S161 - (11)8 16 / 1 / 10 11--
298PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
299PF01433_AMPN_ECOLI16 100% 0.538 PF01433 C1_S144 - (0)15 - / 4 / 11 12--
300PF00061_RABP2_MOUSE34 93% 0.537 PF00061 C9_S145 - (0)20 - / 11 / 19 13 7 -0.32

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