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_30_293020 37% 0.53 PF00069 C1_S121 - (2)20 - / 5 / 6 1
101LinJ_27_129020 36% 0.25 PF00069 C1_S120 - (4)9 - / 4 / 3 0
102LinJ_27_170020 32% 0.47 PF00069 C1_S123 - (1)11 - / 2 / 6 0
103LinJ_17_081020 28% 0.42 PF00069 C1_S116 - (3)2 - / - / 1 0
104LinJ_21_019020 35% 0.49 PF00069 C1_S121 - (2)8 - / 1 / 3 0
105LinJ_36_558020 31% 0.40 PF00069 C1_S124 - (8)7 - / 1 / 5 0
106LinJ_21_033020 31% ? PF00069 C1_S111 - (3)6 - / 2 / 1 0
107LinJ_27_168020 36% 0.58 PF00069 20 - (0)? - / - / - 0
108LinJ_35_322020 30% 0.43 PF00069 C2_S120 - (6)5 - / - / 3 0
109LinJ_22_077020 36% 0.51 PF00069 16 - (4)4 - / - / - 0
110LinJ_07_032020 34% 0.42 PF00069 C1_S124 - (4)2 - / 1 / - 0
111LinJ_30_178020 32% 0.39 PF00069 C1_S120 - (5)13 - / 1 / 5 0
112LinJ_17_077020 47% 0.57 PF00659 C1_S124 - (2)20 - / 14 / 4 5
113LinJ_19_059020 34% ? PF00069 C1_S116 - (4)6 - / 1 / 1 0
114LinJ_21_021020 30% 0.46 PF00069 18 - (0)1 - / - / - 0
115LinJ_04_123020 37% 0.46 PF00069 C1_S122 - (1)4 - / - / 2 0
116LinJ_21_201020 36% 0.44 PF00069 C1_S117 - (1)3 - / 1 / 2 0
117LinJ_34_184020 32% 0.49 PF00069 C1_S132 - (17)4 - / 1 / 1 0
118LinJ_09_027020 35% 0.40 PF00069 C1_S116 - (6)12 - / 7 / 2 5
119LinJ_17_055020 34% 0.38 PF00069 C1_S120 - (4)14 - / 3 / 3 1
120LinJ_07_105020 33% 0.48 PF00069 C1_S122 - (3)8 - / 2 / 1 0
121LinJ_20_078020 35% 0.38 PF00069 C1_S18 - (2)7 - / 1 / 2 0
122LinJ_35_533020 40% 0.45 PF00069 C1_S117 - (5)15 - / - / 11 1
123LinJ_13_028020 37% 0.47 PF00069 C1_S117 - (4)13 - / 3 / 4 0
124LinJ_29_038019 30% 0.43 PF00069 C1_S112 - (5)1 - / - / 1 0
125LinJ_22_063019 42% 0.53 PF00069 C1_S116 - (3)11 - / 3 / 5 0
126LinJ_19_017019 38% 0.51 PF00069 C1_S113 - (2)8 2 / 2 / - 0
127LinJ_24_209019 42% 0.33 PF00613 C3_S111 - (1)6 - / - / 4 0
128LinJ_17_007019 35% 0.53 PF00069 C1_S113 - (8)13 - / 2 / 1 0
129LinJ_36_476019 32% 0.33 PF00400 C3_S117 - (16)10 - / - / 9 0
130LinJ_35_237019 29% 0.45 PF00069 C1_S120 - (0)5 - / 3 / - 0
131LinJ_31_296019 32% 0.45 PF07653 C1_S120 - (0)5 - / - / 2 0
132LinJ_29_142019 35% 0.47 PF00069 C1_S121 - (3)20 - / 10 / 4 1
133LinJ_11_011019 30% 0.50 PF00069 C1_S121 - (2)2 - / - / 1 0
134LinJ_35_048019 35% ? PF00069 C1_S112 - (1)5 - / 2 / 1 0
135LinJ_30_309019 40% 0.47 PF00069 C1_S114 - (1)10 - / 3 / 3 0
136LinJ_25_158019 32% 0.44 PF00069 C1_S115 - (6)3 - / 1 / - 0
137LinJ_15_118019 35% 0.41 PF00069 C1_S121 - (4)18 - / 8 / 5 2
138LinJ_25_069019 48% 0.45 PF00400 C1_S117 - (16)11 - / - / 8 5
139LinJ_09_046019 37% 0.51 PF00069 C1_S125 - (0)11 - / 2 / 6 0
140LinJ_29_226019 33% 0.45 PF00069 C1_S19 - (4)4 - / 1 / 1 0
141LinJ_34_337019 34% 0.53 PF00613 C2_S111 - (1)3 - / 1 / 2 0
142LinJ_04_042019 29% 0.43 PF00069 C1_S118 - (7)13 - / 1 / 1 0
143LinJ_28_214019 34% 0.40 PF00627 C1_S125 - (1)15 - / 6 / 3 0
144LinJ_26_095019 39% 0.44 PF00069 C1_S122 - (4)10 1 / 3 / 3 1
145LinJ_36_478019 36% 0.47 PF00400 C3_S117 - (16)10 - / - / 9 1
146LinJ_09_045019 37% 0.51 PF00069 C1_S125 - (1)11 - / 2 / 6 0
147LinJ_11_006019 35% 0.47 PF00069 C1_S115 - (3)8 2 / - / - 0
148LinJ_28_062019 40% 0.61 PF00069 C1_S118 - (4)11 - / 5 / 1 2
149LinJ_19_014019 36% 0.49 PF00069 C1_S118 - (3)4 - / 1 / 2 0
150LinJ_32_082019 32% 0.40 PF00069 C1_S119 - (4)10 - / 1 / 2 0

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