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)
150PF01471_MMP1_HUMAN17 100% 0.683 PF01471 C1_S124 - (0)15 2 / 10 / 7 10--
151PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
152PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
153PF00342_G6PI_RABIT29 100% 0.678 PF00342 C3_S134 - (33)19 - / - / 25 10--
154PF00069_GSK3B_MOUSE35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 1 -
155PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
156PF00294_ADK_RAT20 91% 0.673 PF00294 C1_S152 - (40)17 3 / 15 / 9 8--
157PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
158PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
159PF00069_CSK21_RAT49 100% 0.665 PF00069 C1_S185 - (14)20 3 / 22 / 20 22 25 0.03
160PF00042_MYG_HUMAN61 98% 0.664 PF00042 C3_S1112 - (1)14 60 / - / 13 6--
161PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
162PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
163PF00089_TRY3_HUMAN37 99% 0.657 PF00089 C1_S153 - (0)18 - / 4 / 27 9--
164PF00821_PCKGC_RAT25 100% 0.655 PF00821 C5_S150 - (39)16 13 / 7 / 16 12--
165PF00064_NRAM_INBMF24 98% 0.653 PF00064 C3_S126 - (9)20 - / 2 / 21 18--
166PF07973_SYT_YERPE14 88% 0.653 PF07973 C1_S114 - (5)13 2 / 10 / 2 8--
167PF01126_HMOX1_RAT62 100% 0.651 PF01126 C6_S1111 - (42)18 49 / 14 / 18 12--
168PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
169PF00064_NRAM_INBVI23 98% 0.649 PF00064 C5_S123 - (9)20 - / 2 / 20 17--
170PF01467_NADD_BACHK20 100% 0.648 PF01467 C1_S144 - (23)17 9 / 2 / 8 6--
171PF00186_DYR_LACCA7 100% 0.645 PF00186 C2_S156 - (33)10 6 / - / 3 6--
172PF01467_NADD_BACAA20 100% 0.644 PF01467 C1_S144 - (23)17 10 / 2 / 8 6--
173PF00303_TYSY_MYCTU39 100% 0.642 PF00303 C8_S160 - (40)20 - / 3 / 38 9--
174PF00018_YES_HUMAN63 90% 0.640 PF00018 C2_S174 - (4)20 19 / 33 / 11 34 44 0.31
175PF03414_GGTA1_PIG31 88% 0.639 PF03414 C1_S153 - (46)19 - / 27 / 20 9--
176PF03414_GGTA1_BOVIN31 100% 0.636 PF03414 C1_S153 - (46)13 - / 27 / 20 8--
177PF00704_CHIT1_HUMAN17 100% 0.635 PF00704 C1_S152 - (20)18 - / 2 / 19 11--
178PF01487_AROD_ECOLI23 80% 0.634 PF01487 C4_S134 - (23)18 - / - / 24 9--
179PF05014_DNPH1_RAT23 100% 0.634 PF05014 C1_S123 - (0)11 - / - / 16 6--
180PF02274_DDAH1_RAT15 93% 0.634 PF02274 C3_S126 - (18)15 - / - / 12 6--
181PF01126_HMOX1_HUMAN61 100% 0.632 PF01126 C5_S1109 - (32)16 49 / 13 / 17 11--
182PF00026_CARP_YEAST11 100% 0.631 PF00026 C2_S144 - (0)10 4 / 1 / 14 7 1 -
183PF00337_LEG1_HUMAN30 100% 0.631 PF00337 C8_S143 - (0)13 - / - / 24 6--
184PF13733_B4GT1_HUMAN56 99% 0.627 PF13733 C1_S1157 - (125)20 - / 27 / 73 10--
185PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
186PF03167_UNG_HUMAN18 100% 0.625 PF03167 C1_S130 - (0)11 4 / 7 / 11 6--
187PF00186_DYR_STAAM50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
188PF00186_DYR_STAAU50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
189PF01048_PNPH_MOUSE40 84% 0.623 PF01048 C5_S150 - (25)20 - / - / 37 16--
190PF01712_DNK_DROME32 100% 0.621 PF01712 C1_S165 - (49)20 10 / 8 / 18 12--
191PF00067_CP2B6_HUMAN18 98% 0.621 PF00067 C7_S178 - (3)12 18 / 1 / 16 9 1 -
192PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
193PF00850_APHA_MYCRA9 100% 0.619 PF00850 C4_S114 - (0)10 - / 1 / 8 7--
194PF01048_MTNN_STAA219 100% 0.618 PF01048 C1_S141 - (23)17 - / 8 / 10 8--
195PF00061_FABPH_HUMAN22 100% 0.618 PF00061 C2_S129 - (0)18 - / 3 / 21 13 12 0.15
196PF00850_HDAC8_HUMAN35 100% 0.615 PF00850 C4_S170 - (0)12 - / 5 / 26 8--
197PF00012_HSP7C_BOVIN55 100% 0.613 PF00012 C1_S170 - (0)15 11 / 36 / 8 9 1 -
198PF00026_BACE1_MOUSE47 98% 0.613 PF00026 C6_S166 - (0)20 17 / 16 / 13 26--
199PF00026_BACE1_HUMAN47 100% 0.613 PF00026 C7_S166 - (0)20 17 / 16 / 13 25 43 -0.07
200PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--

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