Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
CSAR (Jun 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)
1ksyk_human20 100% 0.447 PF07714 C3_S154 - (10)19 3 / 20 / 2 25 820 -
2trmd_haein_20 100% 0.594 PF01746 C1_S135 - (12)36 - / 21 / 11 5 124 -
3f10a_human20 100% 0.765 PF00089 C1_S151 - (0)22 4 / 19 / - 15 487 -

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