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)
150PF01833_MET_HUMAN44 100% 0.122 PF01833 C2_S156 - (0)20 30 / 12 / 2 33--
151PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
152PF11798_POLK_HUMAN6 100% 0.298 PF11799 C1_S161 - (60)13 - / 2 / 14 9--
153PF00069_WEE1_HUMAN8 100% 0.225 PF00069 C1_S136 - (9)14 3 / 4 / 6 10 18 0.09
154PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
155PF01712_DGUOK_HUMAN21 100% 0.388 PF01712 C4_S167 - (54)15 3 / 18 / 21 15--
156PF00069_SRPK1_HUMAN7 100% 0.314 PF00069 C1_S127 - (6)10 - / 5 / 6 6 6 -0.22
157PF00105_RARG_HUMAN24 100% 0.444 PF00105 C3_S168 - (0)17 16 / 9 / 6 12--
158PF00194_CAH2_HUMAN68 100% 0.873 PF00194 C6_S198 - (4)20 - / 5 / 57 42--
159PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
160PF01593_AOFA_HUMAN44 100% 0.471 PF01593 C1_S1113 - (75)10 44 / 3 / 31 13--
161PF00709_PURA2_HUMAN30 100% 0.502 PF00709 C1_S163 - (48)17 - / 35 / 23 8--
162PF12549_TY3H_HUMAN12 100% 0.536 PF00351 C1_S115 - (14)10 - / - / 15 7--
163PF00067_CP51_MYCTU13 100% 0.796 PF00067 C1_S163 - (5)7 9 / 2 / 8 8--
164PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
165PF00069_TTK_HUMAN7 100% 0.178 PF00069 C1_S135 - (10)10 1 / 4 / 7 7 15 -0.13
166PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
167PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
168PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
169PF05406_PARP3_HUMAN16 100% 0.402 PF05406 C1_S124 - (1)16 1 / 12 / 10 16--
170PF02196_RAF1_HUMAN54 100% 0.172 PF02196 C2_S172 - (5)20 18 / 32 / 4 22--
171PF00156_HPRT_HUMAN25 100% 0.701 PF00156 C2_S149 - (31)20 - / 12 / 17 9--
172PF00102_PTN3_HUMAN12 100% 0.153 PF00102 C2_S117 - (0)11 - / 3 / 7 9--
173PF00615_ARBK1_HUMAN18 100% 0.476 PF00615 C1_S133 - (15)17 - / 8 / 11 8--
174PF00433_KS6A1_HUMAN26 100% 0.247 PF00433 C1_S140 - (9)20 - / 23 / 3 11--
175PF02799_NMT_YEAST19 100% 0.708 PF02799 C1_S137 - (18)17 20 / 9 / 4 12--
176PF00144_AMPC_ENTCL9 100% 0.761 PF00144 C2_S124 - (0)10 - / - / 9 6--
177PF00105_RARB_MOUSE25 100% 0.262 PF00105 C2_S175 - (0)19 16 / 9 / 12 12--
178PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
179PF02055_GLCM_HUMAN17 100% 0.760 PF02055 C7_S130 - (7)18 - / - / 12 7--
180PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
181PF13193_LUCI_PHOPY15 100% 0.603 PF13193 C1_S128 - (8)12 8 / 4 / 3 7--
182PF01180_PYRD_RAT29 100% 0.487 PF01180 C3_S1114 - (68)19 30 / 23 / 33 25--
183PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
184PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
185PF00850_HDAC4_HUMAN19 100% 0.202 PF00850 C2_S126 - (0)16 - / 8 / 12 10--
186PF00026_CATE_HUMAN12 100% 0.402 PF00026 C2_S127 - (0)10 6 / 2 / 7 6 2 -1.00
187PF02897_PPCE_PIG26 100% 0.845 PF02897 C1_S133 - (0)16 - / 9 / 15 10--
188PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
189PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
190PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
191PF00069_ST32A_HUMAN14 100% 0.469 PF00433 C1_S144 - (10)15 - / 11 / 4 10 6 -0.44
192PF00107_ADH1B_HUMAN53 100% 0.772 PF00107 C1_S1114 - (70)20 33 / 3 / 30 12--
193PF00704_CHIA_SERMA16 100% 0.796 PF00704 C1_S154 - (20)19 3 / 4 / 12 6--
194PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
195PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
196PF00337_LEG3_HUMAN32 100% 0.323 PF00337 C5_S148 - (0)11 - / - / 30 7--
197PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
198PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
199PF02898_NOS3_HUMAN60 100% 0.250 PF02898 C1_S1212 - (12)20 60 / - / 69 22--
200PF01187_MIF_HUMAN49 100% 0.725 PF01187 C5_S168 - (3)20 - / 2 / 30 11--

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