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)
100PF00433_KPCG_RAT22 75% 0.356 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
101PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
102PF02868_THER_BACTH57 100% 0.473 PF02868 C1_S1140 - (0)20 - / 13 / 50 25--
103PF00089_TRYB1_RAT44 77% 0.514 PF00089 C1_S166 - (0)20 - / 16 / 19 9--
104PF03098_PGH1_RABIT37 89% 0.454 PF03098 C1_S174 - (4)20 - / 27 / 22 15--
105PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
106PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
107PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
108PF00069_PIM2_HUMAN22 100% 0.443 PF00069 C1_S150 - (5)20 - / 14 / 16 18 104 -0.01
109PF00491_ARGI1_BOVIN50 91% 0.767 PF00491 C12_S150 - (22)20 - / - / 26 12--
110PF07714_VGFR2_RAT33 95% 0.134 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
111PF00069_CDKL3_HUMAN20 99% 0.285 PF00069 C1_S139 - (9)20 - / 11 / 12 15 4 -0.08
112PF00433_KPCG_HUMAN22 75% 0.363 PF00433 C1_S148 - (12)20 - / 22 / 12 14--
113PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
114PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
115PF04886_MMP9_RAT24 83% 0.378 PF04886 C1_S133 - (0)20 - / 1 / 21 10--
116PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
117PF07686_VGFR2_MOUSE33 96% 0.129 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
118PF00105_GCR_MOUSE37 99% 0.208 PF00105 C4_S186 - (0)20 11 / 27 / 12 15--
119PF00017_JAK2_MOUSE27 96% 0.134 PF00017 C2_S133 - (6)20 3 / 22 / 3 19--
120PF00089_FA10_RAT46 86% 0.307 PF00089 C4_S154 - (0)20 2 / 38 / 4 34--
121PF01048_PUNA_MYCTU30 100% 0.859 PF01048 C7_S144 - (27)20 - / 6 / 26 14--
122PF00064_NRAM_INBVI23 98% 0.649 PF00064 C5_S123 - (9)20 - / 2 / 20 17--
123PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
124PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
125PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
126PF01751_GYRB_ECOLI25 100% 0.397 PF01751 C2_S142 - (0)20 2 / 18 / 8 15--
127PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
128PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
129PF00232_GBA3_HUMAN24 100% 0.559 PF00232 C2_S158 - (32)20 - / 3 / 22 13--
130PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
131PF00069_AURKC_HUMAN65 84% 0.501 PF00069 C1_S184 - (12)20 5 / 45 / 16 44 49 0.41
132PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
133PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
134PF00089_UROK_MOUSE55 71% 0.313 PF00089 C3_S1100 - (0)20 - / 11 / 49 40--
135PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
136PF00089_TRYB1_HUMAN43 99% 0.713 PF00089 C1_S163 - (0)20 - / 19 / 20 10--
137PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
138PF00233_PDE5A_RAT34 96% 0.216 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
139PF00704_CHIA_MOUSE19 84% 0.403 PF00704 C1_S160 - (23)20 - / 5 / 19 10--
140PF00069_KAPCA_HUMAN66 99% 0.813 PF00069 C1_S1143 - (12)20 18 / 48 / 51 37 31 0.45
141PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
142PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
143PF00069_CHK1_HUMAN59 100% 0.296 PF00069 C1_S178 - (4)20 3 / 36 / 20 56 14 0.23
144PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
145PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
146PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
147PF07714_FGFR3_MOUSE54 94% 0.206 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
148PF00112_CATF_HUMAN20 99% 0.340 PF00112 C3_S135 - (0)20 - / 7 / 13 13--
149PF00069_CDKL5_HUMAN23 99% 0.138 PF00069 C1_S149 - (6)20 - / 10 / 16 16 6 0.64
150PF00186_DYR_MOUSE56 100% 0.694 PF00186 C3_S1129 - (72)20 52 / 34 / 17 33--

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