Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
MS2MODELS_THEMIS1 (2018 - Mus musculus - themis1)
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 ]

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]
	Query Sequence Filter:	Significants SA found	Seq Ident.	3D Core (QMean Score)	Classification code Uniprot Pfam Prosite Smart Cath ECNumber	Binding Site	Ligands Found (Procognate)	Profile	Complexes by comparative docking (ligands from PDB templates) ALL AYI - [nb=3] --> .....CYCLOPROPYL}PHENYL) ESTER ACE - [nb=3] --> ACETYL GROUP AYQ - [nb=3] --> .....CYCLOPROPYL}PHENYL) ESTER YEN - [nb=3] --> .....HA-GLUTAMYL-L-ASPARTAMIDE FYI - [nb=3] --> .....AMOYLPROPYL}PHENYL) ESTER FYQ - [nb=3] --> .....-GLUTAMINYL-L-ASPARTAMIDE DZV - [nb=2] --> .....,3-a]quinazolin-5(4H)-one DZS - [nb=2] --> .....yl}-4-hydroxybenzoic acid DYV - [nb=2] --> .....ene-1-carbonyl)-L-proline GOL - [nb=1] --> GLYCEROL B2B - [nb=1] --> .....METHYLBUT-2-ENEDIOIC ACID 3LU - [nb=1] --> .....IN-5-YL}METHYL)PYRIDINIUM JZG - [nb=1] --> .....-INDOLE-5-CARBOXYLIC ACID 2WT - [nb=1] --> .....-INDOLE-5-CARBOXYLIC ACID	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
1	PTN11_MOUSE	23	99%	0.51	PF00102	C1_S1	9 - (0)	9	- / - / 5	4
2	GRAP_MOUSE	21	65%	0.40	PF00018	C1_S1	9 - (0)	8	- / 5 / 1	5
3	GRAP2_MOUSE	21	99%	0.68	PF00018	C1_S1	8 - (0)	7	- / 5 / 1	5
4	CBL_MOUSE	20	99%	0.74	PF00627		2 - (0)	1	- / - / -	0
5	VAV_MOUSE	20	100%	0.50	PF00018		1 - (0)	?	- / - / -	0
6	LIS1_MOUSE	20	99%	0.51	PF00400		12 - (0)	?	- / - / -	0
7	GRB2_MOUSE	19	99%	0.56	PF00018	C1_S1	9 - (0)	8	- / 5 / 1	5
8	PTN6_MOUSE	19	94%	0.64	PF00102	C1_S1	6 - (0)	6	- / 6 / -	3
9	LCP2_MOUSE	11	88%	0.56	PF00018		2 - (0)	?	- / - / -	0
10	THMS1_MOUSE	0	32%	0.61	PF09336		0 - (0)	?	- / - / -	0
11	LAT_MOUSE	0	33%	0.06	PF12180		0 - (0)	?	- / - / -	0
12	SIT1_MOUSE	0	43%	0.27	PF09125		1 - (0)	?	- / - / -	0

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