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_36_096018 52% 0.54 PF00069 C1_S17 - (0)10 1 / 4 / 1 4
101LinJ_36_476019 32% 0.33 PF00400 C3_S117 - (16)10 - / - / 9 0
102LinJ_26_095019 39% 0.44 PF00069 C1_S122 - (4)10 1 / 3 / 3 1
103LinJ_36_478019 36% 0.47 PF00400 C3_S117 - (16)10 - / - / 9 1
104LinJ_29_214020 60% 0.50 PF00069 C1_S19 - (0)10 1 / 5 / 2 4
105LinJ_14_089024 46% 0.39 PF00069 C1_S116 - (1)10 - / 9 / - 3
106LinJ_30_309019 40% 0.47 PF00069 C1_S114 - (1)10 - / 3 / 3 0
107LinJ_11_025018 30% 0.52 PF00069 C1_S121 - (5)9 - / - / 5 0
108LinJ_27_129020 36% 0.25 PF00069 C1_S120 - (4)9 - / 4 / 3 0
109LinJ_21_091018 29% 0.42 PF00069 C1_S116 - (4)9 - / - / 4 0
110LinJ_19_013018 34% 0.38 PF00069 C1_S110 - (2)9 - / - / 3 0
111LinJ_19_017019 38% 0.51 PF00069 C1_S113 - (2)8 2 / 2 / - 0
112LinJ_21_019020 35% 0.49 PF00069 C1_S121 - (2)8 - / 1 / 3 0
113LinJ_26_254020 31% 0.48 PF00069 C1_S123 - (5)8 - / - / 4 0
114LinJ_29_155020 28% 0.34 PF00613 C2_S112 - (1)8 - / 3 / 1 0
115LinJ_07_105020 33% 0.48 PF00069 C1_S122 - (3)8 - / 2 / 1 0
116LinJ_11_006019 35% 0.47 PF00069 C1_S115 - (3)8 2 / - / - 0
117LinJ_26_005018 36% 0.55 PF00069 C1_S114 - (1)8 - / 2 / 5 0
118LinJ_13_067022 34% 0.41 PF00069 C1_S122 - (3)8 - / - / 2 0
119LinJ_08_054019 29% 0.30 PF00069 C1_S115 - (2)8 - / - / 3 0
120LinJ_34_285020 45% 0.45 PF00069 C1_S124 - (1)7 - / 4 / 3 2
121LinJ_24_241020 34% 0.49 PF00069 C1_S129 - (12)7 - / 4 / - 0
122LinJ_29_278020 36% 0.52 PF00069 C1_S125 - (4)7 - / 3 / 2 0
123LinJ_34_003020 32% 0.47 PF00069 C1_S118 - (0)7 - / - / 3 0
124LinJ_36_558020 31% 0.40 PF00069 C1_S124 - (8)7 - / 1 / 5 0
125LinJ_20_078020 35% 0.38 PF00069 C1_S18 - (2)7 - / 1 / 2 0
126LinJ_21_033020 31% ? PF00069 C1_S111 - (3)6 - / 2 / 1 0
127LinJ_36_676020 44% 0.54 PF00069 C1_S15 - (3)6 - / 2 / 3 1
128LinJ_08_125021 33% 0.50 PF00069 C1_S118 - (3)6 - / - / 1 0
129LinJ_36_477016 38% 0.45 PF00400 C3_S111 - (11)6 - / - / 4 0
130LinJ_24_209019 42% 0.33 PF00613 C3_S111 - (1)6 - / - / 4 0
131LinJ_19_059020 34% ? PF00069 C1_S116 - (4)6 - / 1 / 1 0
132LinJ_33_149018 33% 0.40 PF00069 C1_S118 - (5)6 - / - / 3 0
133LinJ_19_151019 32% 0.47 PF00069 C1_S110 - (5)6 - / - / 1 0
134LinJ_20_137019 28% 0.37 PF00069 C1_S119 - (0)6 - / - / 2 0
135LinJ_19_036012 31% 0.28 PF00069 C1_S110 - (2)5 - / 1 / 2 0
136LinJ_35_048019 35% ? PF00069 C1_S112 - (1)5 - / 2 / 1 0
137LinJ_03_020020 38% 0.54 PF00069 C1_S121 - (6)5 - / 2 / 1 0
138LinJ_35_237019 29% 0.45 PF00069 C1_S120 - (0)5 - / 3 / - 0
139LinJ_31_296019 32% 0.45 PF07653 C1_S120 - (0)5 - / - / 2 0
140LinJ_35_322020 30% 0.43 PF00069 C2_S120 - (6)5 - / - / 3 0
141LinJ_29_025015 37% 0.44 PF09202 C3_S121 - (0)4 - / - / 4 2
142LinJ_34_191020 30% 0.54 PF05773 C1_S118 - (3)4 - / - / 3 1
143LinJ_34_184020 32% 0.49 PF00069 C1_S132 - (17)4 - / 1 / 1 0
144LinJ_22_077020 36% 0.51 PF00069 16 - (4)4 - / - / - 0
145LinJ_29_226019 33% 0.45 PF00069 C1_S19 - (4)4 - / 1 / 1 0
146LinJ_14_002021 33% 0.47 PF00613 C3_S13 - (1)4 - / 2 / 1 2
147LinJ_29_283018 29% 0.41 PF00069 C1_S114 - (4)4 - / - / 1 0
148LinJ_36_158020 34% 0.50 PF00069 22 - (0)4 - / - / - 0
149LinJ_15_081018 31% 0.38 PF00069 C1_S117 - (3)4 - / 1 / 1 0
150LinJ_04_123020 37% 0.46 PF00069 C1_S122 - (1)4 - / - / 2 0

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