Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
LIPK (2018 - Leishmania infantum - Protein Kinase)

Download : Data.csv | 3D Common Core | 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


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
100LinJ_10_020020 44% 0.67 PF00069 C1_S133 - (0)20 3 / 8 / 5 6
101LinJ_29_155020 28% 0.34 PF00613 C2_S112 - (1)8 - / 3 / 1 0
102LinJ_17_044020 35% 0.40 PF00069 C1_S128 - (5)12 - / 2 / 3 0
103LinJ_27_129020 36% 0.25 PF00069 C1_S120 - (4)9 - / 4 / 3 0
104LinJ_22_099020 35% 0.52 PF00069 16 - (5)1 - / - / - 0
105LinJ_36_558020 31% 0.40 PF00069 C1_S124 - (8)7 - / 1 / 5 0
106LinJ_29_214020 60% 0.50 PF00069 C1_S19 - (0)10 1 / 5 / 2 4
107LinJ_28_055020 44% 0.59 PF00069 C1_S121 - (4)20 1 / 14 / 4 8
108LinJ_17_077020 47% 0.57 PF00659 C1_S124 - (2)20 - / 14 / 4 5
109LinJ_07_105020 33% 0.48 PF00069 C1_S122 - (3)8 - / 2 / 1 0
110LinJ_28_324020 31% 0.34 PF00069 19 - (0)? - / - / - 0
111LinJ_17_055020 34% 0.38 PF00069 C1_S120 - (4)14 - / 3 / 3 1
112LinJ_29_243020 38% 0.47 PF00069 C1_S131 - (14)13 2 / 10 / 1 1
113LinJ_21_201020 36% 0.44 PF00069 C1_S117 - (1)3 - / 1 / 2 0
114LinJ_14_114020 41% 0.37 PF00069 C1_S116 - (1)11 - / - / 7 1
115LinJ_36_276020 27% 0.42 PF00069 C2_S121 - (5)2 - / - / 1 0
116LinJ_35_533020 40% 0.45 PF00069 C1_S117 - (5)15 - / - / 11 1
117LinJ_32_012020 36% 0.47 PF00069 C1_S119 - (0)19 - / 8 / 8 9
118LinJ_04_065020 32% 0.27 PF00069 23 - (5)? - / - / - 0
119LinJ_34_184020 32% 0.49 PF00069 C1_S132 - (17)4 - / 1 / 1 0
120LinJ_30_293020 37% 0.53 PF00069 C1_S121 - (2)20 - / 5 / 6 1
121LinJ_34_285020 45% 0.45 PF00069 C1_S124 - (1)7 - / 4 / 3 2
122LinJ_36_158020 34% 0.50 PF00069 22 - (0)4 - / - / - 0
123LinJ_22_077020 36% 0.51 PF00069 16 - (4)4 - / - / - 0
124LinJ_17_007019 35% 0.53 PF00069 C1_S113 - (8)13 - / 2 / 1 0
125LinJ_31_330019 39% 0.51 PF00069 C1_S117 - (5)10 - / 1 / 8 0
126LinJ_07_103019 57% 0.58 PF00069 C1_S112 - (0)13 1 / 4 / 2 3
127LinJ_24_209019 42% 0.33 PF00613 C3_S111 - (1)6 - / - / 4 0
128LinJ_15_118019 35% 0.41 PF00069 C1_S121 - (4)18 - / 8 / 5 2
129LinJ_29_142019 35% 0.47 PF00069 C1_S121 - (3)20 - / 10 / 4 1
130LinJ_28_214019 34% 0.40 PF00627 C1_S125 - (1)15 - / 6 / 3 0
131LinJ_19_017019 38% 0.51 PF00069 C1_S113 - (2)8 2 / 2 / - 0
132LinJ_31_296019 32% 0.45 PF07653 C1_S120 - (0)5 - / - / 2 0
133LinJ_32_082019 32% 0.40 PF00069 C1_S119 - (4)10 - / 1 / 2 0
134LinJ_09_046019 37% 0.51 PF00069 C1_S125 - (0)11 - / 2 / 6 0
135LinJ_26_095019 39% 0.44 PF00069 C1_S122 - (4)10 1 / 3 / 3 1
136LinJ_19_151019 32% 0.47 PF00069 C1_S110 - (5)6 - / - / 1 0
137LinJ_19_014019 36% 0.49 PF00069 C1_S118 - (3)4 - / 1 / 2 0
138LinJ_05_013019 31% 0.47 PF00069 14 - (4)3 - / - / - 0
139LinJ_10_088019 26% 0.37 PF00069 18 - (6)? - / - / - 0
140LinJ_36_476019 32% 0.33 PF00400 C3_S117 - (16)10 - / - / 9 0
141LinJ_25_158019 32% 0.44 PF00069 C1_S115 - (6)3 - / 1 / - 0
142LinJ_27_186019 38% 0.47 PF00069 C1_S119 - (5)13 - / - / 6 0
143LinJ_07_033019 33% 0.48 PF00069 17 - (5)1 - / - / - 0
144LinJ_22_063019 42% 0.53 PF00069 C1_S116 - (3)11 - / 3 / 5 0
145LinJ_36_478019 36% 0.47 PF00400 C3_S117 - (16)10 - / - / 9 1
146LinJ_30_309019 40% 0.47 PF00069 C1_S114 - (1)10 - / 3 / 3 0
147LinJ_25_069019 48% 0.45 PF00400 C1_S117 - (16)11 - / - / 8 5
148LinJ_34_337019 34% 0.53 PF00613 C2_S111 - (1)3 - / 1 / 2 0
149LinJ_08_054019 29% 0.30 PF00069 C1_S115 - (2)8 - / - / 3 0
150LinJ_35_048019 35% ? PF00069 C1_S112 - (1)5 - / 2 / 1 0

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