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)
50PF07647_EPHA3_MOUSE28 96% 0.175 PF00536 C2_S129 - (9)20 1 / 16 / 10 17--
51PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
52PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
53PF00303_TYSY_LACCA54 100% 0.832 PF00303 C8_S167 - (53)20 - / 2 / 64 11--
54PF10613_GRIA1_MOUSE28 98% 0.369 PF10613 C1_S140 - (0)20 - / - / 19 10--
55PF00194_CAH7_MOUSE25 94% 0.524 PF00194 C1_S149 - (5)20 - / - / 19 14--
56PF01180_PYRD_MOUSE29 94% 0.518 PF01180 C2_S1113 - (67)20 30 / 25 / 30 24--
57PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
58PF00397_PIN1_HUMAN36 100% 0.566 PF00397 C4_S143 - (0)20 - / 14 / 17 25--
59PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
60PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
61PF00069_KAPCB_HUMAN66 92% 0.801 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 12 0.39
62PF00659_PLK2_HUMAN19 98% 0.226 PF00659 C1_S140 - (5)20 1 / 15 / 6 17--
63PF00433_KPCE_MOUSE22 71% 0.288 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
64PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
65PF00962_ADA_BOVIN27 95% 0.777 PF00962 C5_S148 - (16)20 2 / 9 / 13 18--
66PF00069_CSK2A_SCHPO51 71% 0.519 PF00069 C1_S189 - (12)20 - / 20 / 26 29--
67PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
68PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
69PF00069_MP2K3_HUMAN18 84% 0.474 PF00069 C1_S155 - (23)20 3 / 21 / 8 7 11 -0.27
70PF00186_DYR_STAAW50 98% 0.589 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
71PF02799_NMT_PLAF736 80% 0.473 PF02799 C1_S170 - (0)20 43 / 24 / - 13--
72PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
73PF02244_CBPA1_BOVIN42 100% 0.749 PF02244 C2_S150 - (0)20 1 / 5 / 38 20--
74PF03098_PGH1_SHEEP37 99% 0.465 PF03098 C1_S174 - (4)20 - / 27 / 25 15--
75PF00112_CATF_HUMAN20 99% 0.340 PF00112 C3_S135 - (0)20 - / 7 / 13 13--
76PF00069_CDK1_YEAST25 63% 0.493 PF00069 C1_S139 - (11)20 1 / 9 / 16 12--
77PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
78PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
79PF00069_CDK16_HUMAN25 99% 0.303 PF00069 C1_S138 - (9)20 1 / 12 / 10 17 34 -0.21
80PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
81PF00433_KPCA_MOUSE23 98% 0.377 PF00433 C1_S151 - (13)20 - / 26 / 8 14--
82PF00069_AURKB_HUMAN63 99% 0.409 PF00069 C1_S187 - (13)20 7 / 40 / 17 39 23 0.39
83PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
84PF03098_PGH1_RAT37 87% 0.431 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
85PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
86PF00186_DYR_STAAU50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
87PF08127_CATB_HUMAN26 100% 0.563 PF08127 C1_S142 - (0)20 - / 1 / 24 12--
88PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
89PF07686_VGFR2_MOUSE33 96% 0.129 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
90PF07647_TNKS2_HUMAN34 96% 0.077 PF07647 C2_S139 - (0)20 7 / 24 / 7 28--
91PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
92PF00069_MK14_MOUSE30 100% 0.745 PF00069 C1_S142 - (5)20 6 / 14 / 9 19 19 -0.02
93PF10613_GRIK1_HUMAN47 97% 0.326 PF10613 C1_S166 - (0)20 - / - / 40 10--
94PF01833_RON_MOUSE20 87% 0.115 PF01833 C2_S129 - (0)20 7 / 8 / 6 18--
95PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
96PF00595_NOS1_HUMAN66 97% 0.138 PF00595 C4_S1208 - (8)20 66 / - / 59 26--
97PF00704_CHIA_HUMAN19 99% 0.439 PF00704 C1_S160 - (23)20 - / 4 / 22 11--
98PF00569_CBP_HUMAN28 100% 0.135 PF00569 C1_S141 - (0)20 - / 6 / 17 13--
99PF00089_THRB_BOVIN45 100% 0.371 PF00089 C4_S187 - (0)20 14 / 40 / 13 13--
100PF00433_KPCD_HUMAN23 72% 0.279 PF00433 C2_S150 - (12)20 - / 22 / 11 15--

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