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)
50PF00026_PLM2_PLAFA25 100% 0.763 PF00026 C6_S140 - (0)14 15 / 5 / 5 9 34 0.30
51PF00026_RENI1_MOUSE45 95% 0.421 PF00026 C7_S176 - (0)20 17 / 25 / 2 21--
52PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
53PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
54PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
55PF00026_RENI_RAT13 82% 0.432 PF00026 C3_S135 - (0)10 11 / 3 / 3 8--
56PF00042_MYG_HUMAN61 98% 0.664 PF00042 C3_S1112 - (1)14 60 / - / 13 6--
57PF00054_SHBG_HUMAN9 100% 0.371 PF00054 C3_S113 - (0)7 - / 10 / - 6 80 0.50
58PF00054_SHBG_RAT9 75% 0.380 PF00054 C3_S113 - (0)7 - / 11 / - 6--
59PF00059_CLC4K_HUMAN55 100% 0.236 PF00059 C2_S160 - (0)14 - / - / 44 7--
60PF00061_FABP4_HUMAN28 100% 0.684 PF00061 C4_S140 - (0)20 1 / 9 / 18 22 32 0.64
61PF00061_FABP4_RAT28 93% 0.593 PF00061 C2_S137 - (0)20 - / 10 / 17 22 2 -
62PF00061_FABP5_HUMAN19 100% 0.495 PF00061 C4_S131 - (0)14 - / 7 / 12 9 9 0.12
63PF00061_FABPH_HUMAN22 100% 0.618 PF00061 C2_S129 - (0)18 - / 3 / 21 13 12 0.15
64PF00061_LACB_BOVIN23 100% 0.482 PF00061 C4_S140 - (0)20 - / 3 / 19 15 2 1.00
65PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
66PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
67PF00061_RABP2_MOUSE34 93% 0.537 PF00061 C9_S145 - (0)20 - / 11 / 19 13 7 -0.32
68PF00064_NRAM_INBMF24 98% 0.653 PF00064 C3_S126 - (9)20 - / 2 / 21 18--
69PF00064_NRAM_INBVI23 98% 0.649 PF00064 C5_S123 - (9)20 - / 2 / 20 17--
70PF00067_CP2B1_RAT18 78% 0.796 PF00067 C6_S175 - (3)11 19 / - / 15 9 1 -
71PF00067_CP2B4_RABIT18 99% 0.832 PF00067 C7_S175 - (3)9 18 / 1 / 14 10--
72PF00067_CP2B6_HUMAN18 98% 0.621 PF00067 C7_S178 - (3)12 18 / 1 / 16 9 1 -
73PF00067_CP2C9_HUMAN22 99% 0.495 PF00067 C4_S175 - (13)8 22 / 3 / 8 11 28 0.50
74PF00067_CP2CB_RAT20 75% 0.443 PF00067 C3_S170 - (13)10 21 / 2 / 13 13--
75PF00067_CP2CI_HUMAN23 81% 0.520 PF00067 C6_S177 - (13)10 23 / 3 / 9 12--
76PF00067_CP2CJ_HUMAN22 99% 0.499 PF00067 C7_S175 - (13)9 23 / 3 / 9 11 16 0.82
77PF00067_CP2E1_HUMAN17 98% 0.514 PF00067 C7_S161 - (11)7 16 / - / 12 11 3 -0.50
78PF00067_CP2E1_RAT17 79% 0.538 PF00067 C7_S161 - (11)8 16 / 1 / 10 11--
79PF00067_CP343_HUMAN14 76% 0.546 PF00067 C2_S179 - (8)16 14 / 2 / 13 10--
80PF00067_CP3A1_RAT16 74% 0.522 PF00067 C4_S178 - (8)19 14 / 9 / 11 10--
81PF00067_CP3A2_RAT14 73% 0.535 PF00067 C1_S177 - (8)17 14 / 8 / 10 8--
82PF00067_CP3A4_HUMAN14 100% 0.566 PF00067 C3_S177 - (8)7 15 / 8 / 4 7 15 0.33
83PF00067_CP3A5_HUMAN15 84% 0.563 PF00067 C2_S174 - (8)17 14 / 4 / 12 8 1 -
84PF00067_CP3A6_RABIT14 76% 0.558 PF00067 C2_S179 - (10)15 14 / 9 / 6 8--
85PF00067_CP51_MYCTU13 100% 0.796 PF00067 C1_S163 - (5)7 9 / 2 / 8 8--
86PF00067_CP51A_RAT16 94% 0.511 PF00067 C4_S171 - (2)7 13 / 7 / 6 10--
87PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
88PF00068_PA21B_MOUSE48 81% 0.426 PF00068 C9_S193 - (0)20 - / 8 / 31 15--
89PF00068_PA21B_PIG50 100% 0.399 PF00068 C6_S196 - (0)20 - / 10 / 28 15--
90PF00068_PA21B_RAT48 80% 0.451 PF00068 C8_S194 - (0)20 - / 8 / 30 14--
91PF00068_PA2A1_NAJMO24 78% 0.443 PF00068 C4_S136 - (6)19 - / 3 / 14 6--
92PF00068_PA2A2_NAJNA33 96% 0.511 PF00068 C8_S146 - (12)20 - / 3 / 19 6--
93PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--
94PF00068_PA2GA_MOUSE19 68% 0.423 PF00068 C4_S130 - (0)18 2 / 7 / 4 10--
95PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
96PF00068_PA2GX_HUMAN16 100% 0.317 PF00068 C6_S132 - (0)13 - / 5 / 11 9--
97PF00069_AAPK1_HUMAN14 98% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9 10 0.68
98PF00069_AAPK1_RAT14 99% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9--
99PF00069_AAPK2_HUMAN12 100% 0.350 PF00069 C1_S123 - (4)12 1 / 10 / - 7 3 0.82
100PF00069_AAPK2_RAT12 99% 0.371 PF00069 C1_S123 - (4)12 1 / 10 / - 7--

<< Page / 21 >> - Show