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)
1PF00273_ALBU_BOVIN41 99% 0.555 PF00273 C8_S183 - (0)20 - / 7 / 32 15--
2PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
3PF02798_HPGDS_HUMAN34 100% 0.756 PF02798 C1_S136 - (0)20 - / 18 / 17 17--
4PF00018_SRC_HUMAN63 100% 0.651 PF00018 C4_S175 - (4)20 19 / 35 / 9 32 253 0.29
5PF00069_AURKA_HUMAN54 100% 0.353 PF00069 C1_S175 - (10)20 5 / 42 / 6 37 168 -0.18
6PF00704_CHIA_MOUSE19 84% 0.403 PF00704 C1_S160 - (23)20 - / 5 / 19 10--
7PF00233_PDE2A_HUMAN15 100% 0.354 PF00233 C1_S131 - (3)20 - / 1 / 16 15--
8PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
9PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
10PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
11PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
12PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
13PF00433_PKN1_HUMAN22 100% 0.212 PF00433 C1_S151 - (10)20 1 / 25 / 10 17--
14PF00194_CAH3_BOVIN22 85% 0.490 PF00194 C1_S137 - (3)20 - / - / 17 13--
15PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
16PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
17PF00491_ARGI1_HUMAN50 100% 0.795 PF00491 C10_S150 - (22)20 - / - / 26 10--
18PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
19PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
20PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
21PF00089_TRYB1_HUMAN43 99% 0.713 PF00089 C1_S163 - (0)20 - / 19 / 20 10--
22PF00069_KAPCB_HUMAN66 92% 0.801 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 12 0.39
23PF00433_KPCD_MOUSE22 71% 0.274 PF00433 C2_S148 - (11)20 - / 23 / 8 14--
24PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
25PF00194_CAH2_BOVIN61 100% 0.526 PF00194 C8_S194 - (3)20 - / 5 / 54 40--
26PF01833_RON_MOUSE20 87% 0.115 PF01833 C2_S129 - (0)20 7 / 8 / 6 18--
27PF00433_KPCB_HUMAN23 95% 0.369 PF00433 C1_S149 - (12)20 - / 25 / 11 14--
28PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
29PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
30PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
31PF00112_CATK_RAT50 90% 0.430 PF00112 C3_S167 - (0)20 - / 3 / 42 30--
32PF01536_DCAM_RAT44 98% 0.556 PF01536 C3_S160 - (24)20 - / - / 37 12--
33PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
34PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
35PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
36PF00069_DAPK3_HUMAN39 99% 0.357 PF00069 C1_S147 - (27)20 1 / 9 / 27 11 20 0.31
37PF08715_R1AB_CVHSA41 100% 0.514 PF08715 C1_S147 - (0)20 1 / 19 / 19 13--
38PF00144_BLC1_ECOLX53 98% 0.530 PF00144 C2_S172 - (24)20 - / 10 / 43 29--
39PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
40PF00194_CAH3_HUMAN22 98% 0.793 PF00194 C1_S136 - (3)20 - / - / 19 13--
41PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
42PF00343_PYGB_HUMAN44 85% 0.793 PF00343 C11_S185 - (27)20 - / 14 / 65 27--
43PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
44PF00107_ADH1B_HUMAN53 100% 0.772 PF00107 C1_S1114 - (70)20 33 / 3 / 30 12--
45PF03331_LPXC_AQUAE29 99% 0.768 PF03331 C1_S149 - (0)20 1 / 6 / 27 16--
46PF00693_KITH_HHV2322 77% 0.505 PF00693 C5_S146 - (40)20 1 / 4 / 23 13--
47PF00303_TYSY_ENTFA49 100% 0.595 PF00303 C7_S162 - (48)20 - / 2 / 58 12--
48PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
49PF01030_INSR_HUMAN28 100% 0.163 PF01030 C2_S136 - (2)20 2 / 20 / 5 17--
50PF01030_IGF1R_MOUSE27 97% 0.162 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--

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