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)
100PF00273_ALBU_MOUSE38 76% 0.556 PF00273 C4_S168 - (0)20 - / 6 / 19 11--
101PF00433_KPCG_RAT22 75% 0.356 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
102PF13931_KIF11_HUMAN44 100% 0.182 PF13931 C1_S175 - (0)20 3 / 55 / 10 21--
103PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
104PF00069_DAPK1_HUMAN37 100% 0.113 PF00069 C2_S141 - (25)20 1 / 8 / 26 14 9 0.05
105PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
106PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
107PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
108PF00186_DYR_ECOL664 100% 0.813 PF00186 C5_S1115 - (88)20 28 / 52 / 10 18--
109PF02196_RAF1_HUMAN54 100% 0.172 PF02196 C2_S172 - (5)20 18 / 32 / 4 22--
110PF00069_CDK2_HUMAN63 100% 0.809 PF00069 C1_S197 - (7)20 1 / 21 / 37 37 165 0.16
111PF01048_MTNN_KLEP333 97% 0.689 PF01048 C2_S159 - (31)20 - / 18 / 14 10--
112PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
113PF00069_AURKB_MOUSE36 91% 0.399 PF00069 C1_S159 - (11)20 4 / 24 / 9 25--
114PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
115PF01048_PNPH_MOUSE40 84% 0.623 PF01048 C5_S150 - (25)20 - / - / 37 16--
116PF03098_PGH1_HUMAN37 93% 0.458 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
117PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
118PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
119PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
120PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
121PF02898_NOS3_RAT60 96% 0.242 PF02898 C1_S1213 - (11)20 60 / - / 63 24--
122PF00704_CHIA_HUMAN19 99% 0.439 PF00704 C1_S160 - (23)20 - / 4 / 22 11--
123PF01048_MTNN_ECOL636 100% 0.801 PF01048 C2_S168 - (35)20 - / 19 / 15 10--
124PF00194_CAH4_HUMAN24 100% 0.398 PF00194 C5_S143 - (7)20 - / 1 / 19 9--
125PF01433_LKHA4_CAVPO43 93% 0.776 PF01433 C6_S176 - (0)20 1 / 28 / 19 22--
126PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
127PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
128PF00064_NRAM_INBMF24 98% 0.653 PF00064 C3_S126 - (9)20 - / 2 / 21 18--
129PF02196_ARAF_HUMAN57 76% 0.223 PF02196 C2_S177 - (7)20 19 / 33 / 5 25--
130PF00183_HS90A_HUMAN27 100% 0.406 PF00183 C1_S129 - (0)20 1 / 16 / 10 24--
131PF00144_AMPC_ECOLI53 100% 0.739 PF00144 C1_S173 - (1)20 - / 1 / 43 20--
132PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
133PF00233_PDE5A_BOVIN34 98% 0.205 PF00233 C3_S156 - (5)20 1 / 28 / 9 17--
134PF00557_MAP1_ECOL645 100% 0.803 PF00557 C1_S150 - (0)20 - / 2 / 41 26--
135PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
136PF00018_LYN_RAT61 98% 0.457 PF00018 C2_S171 - (3)20 26 / 30 / 5 19--
137PF00144_BLC1_ECOLX53 98% 0.530 PF00144 C2_S172 - (24)20 - / 10 / 43 29--
138PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
139PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
140PF00186_DYR_MOUSE56 100% 0.694 PF00186 C3_S1129 - (72)20 52 / 34 / 17 33--
141PF00135_ACES_ELEEL20 88% 0.443 PF00135 C1_S130 - (5)20 2 / 6 / 9 11--
142PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
143PF00089_TRYB1_RAT44 77% 0.514 PF00089 C1_S166 - (0)20 - / 16 / 19 9--
144PF00233_PDE10_MOUSE55 96% 0.191 PF00233 C3_S170 - (8)20 9 / 27 / 19 37--
145PF00194_CAH2_BOVIN61 100% 0.526 PF00194 C8_S194 - (3)20 - / 5 / 54 40--
146PF00194_CAH9_HUMAN25 99% 0.297 PF00194 C2_S144 - (7)20 - / - / 18 10--
147PF00069_MP2K1_MOUSE37 99% 0.470 PF00069 C1_S185 - (33)20 5 / 39 / 17 10--
148PF00233_PDE10_RAT55 99% 0.186 PF00233 C3_S170 - (8)20 9 / 27 / 19 38--
149PF00017_ABL_MLVAB69 100% 0.437 PF00018 C2_S183 - (10)20 48 / 22 / 7 26--
150PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--

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