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)
300PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
301PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
302PF00072_AHK3_ARATH7 62% 0.134 PF00072 C1_S18 - (0)7 - / - / 7 6--
303PF00072_AHK4_ARATH14 100% 0.141 PF00072 C3_S116 - (0)12 - / 2 / 12 6--
304PF00072_PDE8A_HUMAN14 100% 0.215 PF00233 C2_S141 - (3)15 - / 2 / 10 10--
305PF00072_PDE8B_HUMAN16 78% 0.188 PF00233 C1_S139 - (3)17 - / 5 / 9 11--
306PF00074_RNAS2_HUMAN10 100% 0.406 PF00074 C4_S114 - (0)10 - / 2 / 7 6--
307PF00082_PRTK_ENGAL28 100% 0.591 PF00082 C2_S141 - (0)17 - / - / 20 8--
308PF00084_GABR1_HUMAN8 100% 0.243 PF00084 C2_S132 - (0)8 - / 2 / 6 8--
309PF00084_GABR1_RAT8 99% 0.234 PF00084 C2_S130 - (0)8 - / 2 / 6 8--
310PF00088_SUIS_HUMAN8 99% 0.269 PF00088 C3_S128 - (9)10 - / 2 / 9 7--
311PF00089_ACRO_HUMAN11 74% 0.346 PF00089 C2_S123 - (0)11 - / 2 / 8 6--
312PF00089_CEL2A_PIG15 100% 0.776 PF00089 C1_S123 - (0)10 - / - / 8 6 1 -
313PF00089_CEL2A_RAT15 82% 0.477 PF00089 C1_S124 - (0)10 - / - / 8 6--
314PF00089_CMA1_RAT18 84% 0.460 PF00089 C1_S134 - (0)16 - / - / 10 7--

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