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)
1PF00059_CLC4K_HUMAN55 100% 0.236 PF00059 C2_S160 - (0)14 - / - / 44 7--
2PF00069_MRCKB_HUMAN16 100% 0.128 PF08912 C1_S120 - (4)15 - / 3 / 15 10 9 -0.19
3PF00069_CLK3_MOUSE9 100% 0.258 PF00069 C1_S137 - (13)13 - / 8 / 5 6--
4PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
5PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
6PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
7PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
8PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
9PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
10PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
11PF00850_HDAC4_HUMAN19 100% 0.202 PF00850 C2_S126 - (0)16 - / 8 / 12 10--
12PF00069_CLK3_HUMAN10 100% 0.335 PF00069 C1_S134 - (13)13 - / 8 / 5 7 10 -0.58
13PF00439_BRD4_HUMAN14 100% 0.062 PF00439 C6_S122 - (0)14 - / 7 / 10 12--
14PF00156_HGXR_PLAFG23 100% 0.845 PF00156 C3_S154 - (32)20 - / 13 / 22 11--
15PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
16PF00156_HPRT_HUMAN25 100% 0.701 PF00156 C2_S149 - (31)20 - / 12 / 17 9--
17PF07952_BXA1_CLOBO21 100% 0.426 PF07952 C1_S124 - (0)9 1 / 8 / 12 7--
18PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
19PF05652_DCPS_HUMAN12 100% 0.471 PF05652 C2_S121 - (0)12 4 / 4 / 4 7--
20PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
21PF00704_CHIB_SERMA25 100% 0.840 PF00704 C1_S195 - (4)15 2 / - / 13 9--
22PF00017_KSYK_HUMAN35 100% 0.447 PF07714 C2_S148 - (10)20 6 / 23 / 8 27 55 0.19
23PF00069_CDK5_HUMAN19 100% 0.520 PF00069 C1_S138 - (6)18 1 / 3 / 16 11 10 -0.57
24PF00450_PPGB_HUMAN10 100% 0.726 PF00450 C2_S130 - (9)11 - / - / 8 6--
25PF00068_PA2GX_HUMAN16 100% 0.317 PF00068 C6_S132 - (0)13 - / 5 / 11 9--
26PF00105_PPARG_HUMAN61 100% 0.444 PF00105 C3_S182 - (0)20 5 / 27 / 33 33--
27PF00613_PK3CG_HUMAN7 100% 0.402 PF00613 C2_S18 - (1)7 - / 5 / 2 7--
28PF00186_DYR_CHICK65 100% 0.795 PF00186 C5_S1135 - (78)20 52 / 42 / 22 35--
29PF00850_HDAC8_HUMAN35 100% 0.615 PF00850 C4_S170 - (0)12 - / 5 / 26 8--
30PF00069_CSK2A_MAIZE60 100% 0.764 PF00069 C1_S1109 - (13)20 1 / 29 / 28 33 20 0.82
31PF00211_ADCY2_RAT18 100% 0.102 PF00211 C1_S145 - (15)13 - / - / 29 6--
32PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
33PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
34PF02180_B2CL1_HUMAN42 100% 0.460 PF02180 C1_S179 - (0)20 23 / 11 / 12 15--
35PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
36PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
37PF07714_RET_HUMAN17 100% 0.573 PF07714 C1_S121 - (4)16 - / 11 / 7 15--
38PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
39PF00183_HS90A_MOUSE27 100% 0.407 PF00183 C1_S128 - (0)20 1 / 17 / 10 24--
40PF00656_CASP6_HUMAN28 100% 0.445 PF00656 C4_S140 - (0)9 - / 11 / 14 7--
41PF01180_PYRD_HUMAN29 100% 0.506 PF01180 C4_S1113 - (67)6 30 / 24 / 33 23--
42PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
43PF03167_UNG_HUMAN18 100% 0.625 PF03167 C1_S130 - (0)11 4 / 7 / 11 6--
44PF00012_HSP7C_HUMAN55 100% 0.604 PF00012 C2_S171 - (55)15 11 / 36 / 8 9 1 -
45PF07714_DDR1_HUMAN14 100% 0.203 PF07714 C2_S115 - (0)13 9 / 4 / 2 9--
46PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
47PF00092_ITAL_HUMAN23 100% 0.228 PF00092 C1_S126 - (0)20 1 / 15 / 6 10--
48PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
49PF00069_MK07_HUMAN14 100% 0.250 PF00069 C1_S120 - (7)12 - / 7 / 7 8 7 0.12
50PF01327_DEF_STRP712 100% 0.476 PF01327 C2_S130 - (3)12 - / 4 / 9 7--

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