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)
250PF05652_DCPS_HUMAN12 100% 0.471 PF05652 C2_S121 - (0)12 4 / 4 / 4 7--
251PF00089_THRB_HUMAN45 100% 0.378 PF00089 C5_S184 - (0)20 15 / 40 / 12 17--
252PF00619_BIRC3_HUMAN30 100% 0.259 PF00619 C3_S142 - (0)20 - / 26 / 5 10--
253PF00069_MST4_HUMAN16 100% 0.365 PF00069 C1_S136 - (11)19 - / 9 / 9 13 13 0.63
254PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51
255PF01467_NADD_BACAA20 100% 0.644 PF01467 C1_S144 - (23)17 10 / 2 / 8 6--
256PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
257PF02180_B2CL1_HUMAN42 100% 0.460 PF02180 C1_S179 - (0)20 23 / 11 / 12 15--
258PF07714_ALK_HUMAN12 100% 0.098 PF07714 C1_S113 - (0)12 5 / 5 / 1 9--
259PF07714_JAK3_HUMAN17 100% 0.134 PF00017 C1_S117 - (0)17 1 / 11 / 5 16--
260PF01471_MMP3_HUMAN37 100% 0.513 PF01471 C3_S146 - (0)20 4 / 12 / 17 20--
261PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
262PF01220_AROQ_HELPJ23 100% 0.545 PF01220 C5_S134 - (3)16 2 / 13 / 4 8--
263PF00856_EHMT2_HUMAN34 100% 0.115 PF00856 C2_S160 - (32)15 7 / 47 / 4 7--
264PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
265PF01327_DEF_STRR612 100% 0.476 PF01327 C2_S130 - (3)12 - / 4 / 9 7--
266PF02274_DDAH1_HUMAN14 100% 0.609 PF02274 C1_S118 - (14)15 - / - / 12 6--
267PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
268PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
269PF00294_KHK_HUMAN17 100% 0.533 PF00294 C1_S140 - (18)18 - / 10 / 10 8--
270PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
271PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
272PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
273PF00248_AK1C1_HUMAN52 100% 0.855 PF00248 C8_S1121 - (85)20 49 / 8 / 31 26--
274PF00194_CAH7_HUMAN24 100% 0.527 PF00194 C1_S137 - (3)20 - / - / 19 14--
275PF00186_DYR_LACCA7 100% 0.645 PF00186 C2_S156 - (33)10 6 / - / 3 6--
276PF02055_GLCM_HUMAN17 100% 0.760 PF02055 C7_S130 - (7)18 - / - / 12 7--
277PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
278PF00613_PK3CA_BOVIN6 100% 0.416 PF00613 C4_S112 - (1)9 - / 4 / 4 8--
279PF13419_HYES_HUMAN21 100% 0.566 PF13419 C1_S130 - (0)20 3 / 12 / 6 16--
280PF00342_G6PI_RABIT29 100% 0.678 PF00342 C3_S134 - (33)19 - / - / 25 10--
281PF00343_PYGM_RABIT47 100% 0.814 PF00343 C11_S190 - (27)20 - / 13 / 70 30--
282PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
283PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
284PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
285PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
286PF00144_BLAC_STAAU11 100% 0.827 PF00144 C1_S124 - (5)11 - / - / 11 9--
287PF00069_PIM2_HUMAN22 100% 0.443 PF00069 C1_S150 - (5)20 - / 14 / 16 18 104 -0.01
288PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
289PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32
290PF00090_ATS5_HUMAN14 100% 0.168 PF01421 C2_S123 - (0)13 1 / 9 / 4 8--
291PF00557_MAP1_ECOL645 100% 0.803 PF00557 C1_S150 - (0)20 - / 2 / 41 26--
292PF00850_APHA_MYCRA9 100% 0.619 PF00850 C4_S114 - (0)10 - / 1 / 8 7--
293PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
294PF14604_ACK1_HUMAN13 100% 0.163 PF07714 C1_S118 - (3)13 4 / 1 / 8 9--
295PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
296PF00619_BIRC2_HUMAN30 100% 0.297 PF00619 C2_S141 - (0)19 1 / 26 / 4 10--
297PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
298PF12549_TY3H_RAT12 100% 0.565 PF00351 C1_S117 - (13)12 - / - / 16 7--
299PF00186_DYR_PNECA47 100% 0.803 PF00186 C4_S1116 - (59)20 44 / 27 / 20 39--
300PF00491_ARGI2_HUMAN27 100% 0.520 PF00491 C3_S131 - (20)16 - / - / 20 8--

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