Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME (Jul 2013)

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)
150KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
151MK01_HUMAN78 100% 0.804 PF00069 C1_S1100 - (22)20 2 / 29 / 44 47 463 -0.05
152PAK1_HUMAN46 100% 0.584 PF00069 C1_S1121 - (35)20 - / 20 / 27 14 162 -0.03
153KC1G2_HUMAN25 89% 0.514 PF00069 C1_S148 - (5)19 - / 15 / 15 13 657 -0.03
154MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
155IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
156HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
157FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
158MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
159DYRK4_HUMAN14 35% 0.499 PF00069 C1_S141 - (15)13 - / 9 / 7 5 78 0.03
160FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
161KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
162KC1G1_HUMAN25 89% 0.535 PF00069 C1_S157 - (8)19 - / 15 / 15 13 551 0.10
163SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
164BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---
165BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
166FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
167FLT3L_HUMAN5 99% 0.611 PF02947 2 - (0)0 - / - / - ---
168LIMK1_HUMAN20 100% 0.560 PF00018 101 - (9)1 - / - / - ---
169LRRK2_HUMAN17 32% 0.485 PF07714 C2_S121 - (2)1 - / 1 / - ---
170SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
171TOPK_HUMAN20 29% 0.537 PF00069 C1_S153 - (15)1 1 / - / - ---

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