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_478019 36% 0.47 PF00400 C3_S117 - (16)10 - / - / 9 1
102LinJ_31_330019 39% 0.51 PF00069 C1_S117 - (5)10 - / 1 / 8 0
103LinJ_14_089024 46% 0.39 PF00069 C1_S116 - (1)10 - / 9 / - 3
104LinJ_29_214020 60% 0.50 PF00069 C1_S19 - (0)10 1 / 5 / 2 4
105LinJ_26_095019 39% 0.44 PF00069 C1_S122 - (4)10 1 / 3 / 3 1
106LinJ_36_476019 32% 0.33 PF00400 C3_S117 - (16)10 - / - / 9 0
107LinJ_11_025018 30% 0.52 PF00069 C1_S121 - (5)9 - / - / 5 0
108LinJ_19_013018 34% 0.38 PF00069 C1_S110 - (2)9 - / - / 3 0
109LinJ_27_129020 36% 0.25 PF00069 C1_S120 - (4)9 - / 4 / 3 0
110LinJ_21_091018 29% 0.42 PF00069 C1_S116 - (4)9 - / - / 4 0
111LinJ_19_017019 38% 0.51 PF00069 C1_S113 - (2)8 2 / 2 / - 0
112LinJ_26_254020 31% 0.48 PF00069 C1_S123 - (5)8 - / - / 4 0
113LinJ_21_019020 35% 0.49 PF00069 C1_S121 - (2)8 - / 1 / 3 0
114LinJ_29_155020 28% 0.34 PF00613 C2_S112 - (1)8 - / 3 / 1 0
115LinJ_08_054019 29% 0.30 PF00069 C1_S115 - (2)8 - / - / 3 0
116LinJ_13_067022 34% 0.41 PF00069 C1_S122 - (3)8 - / - / 2 0
117LinJ_07_105020 33% 0.48 PF00069 C1_S122 - (3)8 - / 2 / 1 0
118LinJ_11_006019 35% 0.47 PF00069 C1_S115 - (3)8 2 / - / - 0
119LinJ_26_005018 36% 0.55 PF00069 C1_S114 - (1)8 - / 2 / 5 0
120LinJ_34_285020 45% 0.45 PF00069 C1_S124 - (1)7 - / 4 / 3 2
121LinJ_29_278020 36% 0.52 PF00069 C1_S125 - (4)7 - / 3 / 2 0
122LinJ_34_003020 32% 0.47 PF00069 C1_S118 - (0)7 - / - / 3 0
123LinJ_36_558020 31% 0.40 PF00069 C1_S124 - (8)7 - / 1 / 5 0
124LinJ_24_241020 34% 0.49 PF00069 C1_S129 - (12)7 - / 4 / - 0
125LinJ_20_078020 35% 0.38 PF00069 C1_S18 - (2)7 - / 1 / 2 0
126LinJ_19_059020 34% ? PF00069 C1_S116 - (4)6 - / 1 / 1 0
127LinJ_20_137019 28% 0.37 PF00069 C1_S119 - (0)6 - / - / 2 0
128LinJ_21_033020 31% ? PF00069 C1_S111 - (3)6 - / 2 / 1 0
129LinJ_08_125021 33% 0.50 PF00069 C1_S118 - (3)6 - / - / 1 0
130LinJ_33_149018 33% 0.40 PF00069 C1_S118 - (5)6 - / - / 3 0
131LinJ_36_676020 44% 0.54 PF00069 C1_S15 - (3)6 - / 2 / 3 1
132LinJ_36_477016 38% 0.45 PF00400 C3_S111 - (11)6 - / - / 4 0
133LinJ_24_209019 42% 0.33 PF00613 C3_S111 - (1)6 - / - / 4 0
134LinJ_19_151019 32% 0.47 PF00069 C1_S110 - (5)6 - / - / 1 0
135LinJ_19_036012 31% 0.28 PF00069 C1_S110 - (2)5 - / 1 / 2 0
136LinJ_35_322020 30% 0.43 PF00069 C2_S120 - (6)5 - / - / 3 0
137LinJ_35_048019 35% ? PF00069 C1_S112 - (1)5 - / 2 / 1 0
138LinJ_31_296019 32% 0.45 PF07653 C1_S120 - (0)5 - / - / 2 0
139LinJ_35_237019 29% 0.45 PF00069 C1_S120 - (0)5 - / 3 / - 0
140LinJ_03_020020 38% 0.54 PF00069 C1_S121 - (6)5 - / 2 / 1 0
141LinJ_19_014019 36% 0.49 PF00069 C1_S118 - (3)4 - / 1 / 2 0
142LinJ_36_158020 34% 0.50 PF00069 22 - (0)4 - / - / - 0
143LinJ_29_025015 37% 0.44 PF09202 C3_S121 - (0)4 - / - / 4 2
144LinJ_12_001614 32% 0.41 PF00069 C1_S120 - (4)4 - / 1 / 3 0
145LinJ_14_002021 33% 0.47 PF00613 C3_S13 - (1)4 - / 2 / 1 2
146LinJ_34_191020 30% 0.54 PF05773 C1_S118 - (3)4 - / - / 3 1
147LinJ_22_077020 36% 0.51 PF00069 16 - (4)4 - / - / - 0
148LinJ_04_123020 37% 0.46 PF00069 C1_S122 - (1)4 - / - / 2 0
149LinJ_29_283018 29% 0.41 PF00069 C1_S114 - (4)4 - / - / 1 0
150LinJ_15_081018 31% 0.38 PF00069 C1_S117 - (3)4 - / 1 / 1 0

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