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)
100PF00069_BMPR2_HUMAN12 43% 0.157 PF08515 C1_S137 - (2)19 2 / 11 / 7 14 15 0.21
101PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
102PF00069_M3K5_HUMAN17 100% 0.128 PF00069 C1_S143 - (9)19 4 / 8 / 8 12 6 0.22
103PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
104PF00074_RNAS1_HUMAN19 100% 0.405 PF00074 C8_S123 - (0)18 - / 4 / 13 8 8 0.22
105PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
106PF00069_OXSR1_HUMAN20 100% 0.275 PF00069 C1_S142 - (16)15 - / 6 / 15 11 7 0.23
107PF00069_MK09_HUMAN32 97% 0.398 PF00069 C1_S152 - (6)11 4 / 23 / 11 9 9 0.23
108PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
109PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
110PF00018_FGR_HUMAN66 79% 0.507 PF00018 C2_S176 - (4)20 20 / 33 / 12 33 45 0.25
111PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
112PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
113PF00069_MP2K2_HUMAN37 86% 0.500 PF00069 C1_S189 - (35)20 5 / 41 / 17 13 31 0.26
114PF00069_MELK_HUMAN13 99% 0.263 PF00069 C1_S126 - (5)13 - / 7 / 5 10 8 0.27
115PF00069_E2AK2_HUMAN13 99% 0.228 PF00069 C2_S132 - (11)14 2 / 5 / 9 10 14 0.28
116PF00018_LYN_HUMAN60 100% 0.460 PF00018 C3_S175 - (4)20 25 / 29 / 7 18 57 0.28
117PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
118PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
119PF00071_CDC42_CHICK61 100% 0.509 PF00071 C3_S173 - (68)14 3 / 48 / 8 6 51 0.30
120PF00069_KCC2G_HUMAN15 99% 0.338 PF00069 C1_S118 - (0)13 - / 6 / 9 8 8 0.30
121PF00069_M4K4_HUMAN13 91% 0.126 PF00069 C1_S121 - (0)12 - / 4 / 7 9 8 0.30
122PF00026_PLM2_PLAFA25 100% 0.763 PF00026 C6_S140 - (0)14 15 / 5 / 5 9 34 0.30
123PF00069_MP2K1_HUMAN37 100% 0.469 PF00069 C1_S186 - (33)20 5 / 40 / 17 10 22 0.30
124PF00018_YES_HUMAN63 90% 0.640 PF00018 C2_S174 - (4)20 19 / 33 / 11 34 44 0.31
125PF00069_DAPK3_HUMAN39 99% 0.357 PF00069 C1_S147 - (27)20 1 / 9 / 27 11 20 0.31
126PF00017_BMX_HUMAN30 98% 0.224 PF00018 C1_S140 - (2)20 5 / 25 / 3 22 19 0.32
127PF00067_CP3A4_HUMAN14 100% 0.566 PF00067 C3_S177 - (8)7 15 / 8 / 4 7 15 0.33
128PF00069_MAST1_HUMAN13 61% 0.106 PF00069 C1_S129 - (5)14 - / 5 / 11 14 8 0.34
129PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
130PF00017_FER_HUMAN28 66% 0.255 PF00018 C2_S141 - (6)20 10 / 10 / 9 18 16 0.34
131PF00069_TAOK2_HUMAN15 99% 0.139 PF00069 C1_S122 - (6)14 1 / 6 / 7 9 4 0.35
132PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
133PF00069_PAK7_HUMAN24 98% 0.239 PF00069 C1_S155 - (15)18 2 / 14 / 13 11 11 0.35
134PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
135PF00069_AVR2A_HUMAN19 100% 0.302 PF08515 C1_S133 - (0)17 1 / 15 / 4 12 7 0.36
136PF00069_MARK1_HUMAN14 100% 0.217 PF00069 C1_S128 - (6)12 3 / 9 / 2 9 12 0.37
137PF00069_NEK2_HUMAN19 100% 0.312 PF00069 C1_S144 - (0)20 1 / 15 / 4 16 23 0.38
138PF00069_AURKB_HUMAN63 99% 0.409 PF00069 C1_S187 - (13)20 7 / 40 / 17 39 23 0.39
139PF00069_KAPCB_HUMAN66 92% 0.801 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 12 0.39
140PF00069_PAK2_HUMAN19 91% 0.338 PF00069 C1_S145 - (13)17 1 / 10 / 14 12 7 0.39
141PF00069_DAPK2_HUMAN24 99% 0.432 PF00069 C1_S136 - (15)20 1 / 3 / 17 10 14 0.40
142PF00069_STK11_HUMAN6 99% 0.303 PF00069 C1_S131 - (7)11 - / 10 / 1 9 9 0.40
143PF00069_STK24_HUMAN19 98% 0.332 PF00069 C1_S140 - (11)20 2 / 10 / 7 14 11 0.40
144PF00069_AURKC_HUMAN65 84% 0.501 PF00069 C1_S184 - (12)20 5 / 45 / 16 44 49 0.41
145PF00018_LCK_HUMAN58 100% 0.572 PF00018 C2_S173 - (4)20 23 / 30 / 5 15 146 0.42
146PF00069_DCLK1_HUMAN16 46% 0.181 PF00069 C1_S131 - (10)16 - / 2 / 15 10 8 0.43
147PF00069_KAPCA_HUMAN66 99% 0.813 PF00069 C1_S1143 - (12)20 18 / 48 / 51 37 31 0.45
148PF00069_TAOK3_HUMAN18 82% 0.192 PF00069 C1_S128 - (9)16 1 / 7 / 8 9 10 0.46
149PF00069_MYLK4_HUMAN18 100% 0.346 PF00069 C1_S128 - (11)17 - / 8 / 10 11 9 0.47
150PF00018_GRB2_HUMAN57 100% 0.548 PF00018 C3_S176 - (0)19 5 / 49 / 5 9 25 0.47

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