Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SH2_H_PFAM (2017 - Homo sapiens - Human SH2 Domain)
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 CHAIN - [nb=972] --> .....PROTEIN CD3 EPSILON CHAIN MLA - [nb=37] --> MALONIC ACID PHS - [nb=37] --> PHOSPHONIC ACID ACE - [nb=33] --> ACETYL GROUP C78 - [nb=33] --> .....C ACID 3-AMINOBENZYLESTER CC1 - [nb=30] --> .....O-PHENYL}-PHOSPHONIC ACID PTC - [nb=22] --> .....CLOPROPANECARBOXYLIC ACID S1S - [nb=18] --> .....10-YL)PHENYL)MALONIC ACID CC0 - [nb=15] --> .....HONO-PHENOXY)-ACETIC ACID EDO - [nb=15] --> 1,2-ETHANEDIOL PSN - [nb=13] --> .....PHENYL HYDROGEN PHOSPHATE 853 - [nb=13] --> .....ARBOXYMETHYL-BENZOIC ACID 772 - [nb=13] --> .....8-YL DIHYDROGEN PHOSPHATE 787 - [nb=13] --> .....O-METHYL)-PHOSPHONIC ACID HPS - [nb=13] --> .....ENYL DIHYDROGEN PHOSPHATE 687 - [nb=13] --> .....L-O-PHOSPHONOTYROSINAMIDE 256 - [nb=13] --> PHENYL(SULFO)ACETIC ACID 843 - [nb=13] --> .....]-O-PHOSPHONOTYROSINAMIDE I59 - [nb=13] --> .....HYL)METHYLPHOSPHONIC ACID 821 - [nb=13] --> .....-FORMYLPHENYL]ACETIC ACID 822 - [nb=13] --> .....)METHYL]PHENYLALANINAMIDE UR2 - [nb=13] --> .....YL-CARBAMOYL]BUTYRIC ACID OXD - [nb=13] --> OXALIC ACID 791 - [nb=13] --> 2-PHENYLMALONIC ACID CIT - [nb=13] --> CITRIC ACID 903 - [nb=13] --> .....YL}-2-FLUORO-MALONIC ACID 493 - [nb=12] --> .....HONO-PHENOXY}-ACETIC ACID 852 - [nb=12] --> .....BOXY-PHENYL}-MALONIC ACID 1C5 - [nb=12] --> .....XYLMETHYL]ALANINYL]-AMINE 876 - [nb=12] --> .....HOSPHONOPHENYLALANINAMIDE 197 - [nb=12] --> .....YL]-2-FORMYL-BENZOIC ACID 299 - [nb=11] --> .....ENYL DIHYDROGEN PHOSPHATE YVN - [nb=6] --> .....YL)-L-VALYL-L-ASPARTAMIDE AYQ - [nb=6] --> .....CYCLOPROPYL}PHENYL) ESTER AYI - [nb=6] --> .....CYCLOPROPYL}PHENYL) ESTER FYQ - [nb=6] --> .....-GLUTAMINYL-L-ASPARTAMIDE GOL - [nb=6] --> GLYCEROL FYI - [nb=3] --> .....AMOYLPROPYL}PHENYL) ESTER DTF - [nb=3] --> .....-YL]BENZYLPHOSPHONIC ACID IMD - [nb=3] --> IMIDAZOLE TVN - [nb=3] --> .....YL}-L-VALYL-L-ASPARTAMIDE YEN - [nb=3] --> .....HA-GLUTAMYL-L-ASPARTAMIDE IPA - [nb=1] --> ISOPROPYL ALCOHOL 300 - [nb=1] --> .....ENYL DIHYDROGEN PHOSPHATE	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
100	FES_HUMAN	15	100%	0.45	PF00018		105 - (0)	1	- / - / -	0
101	TEC_HUMAN	15	57%	0.64	PF00018	C2_S1	105 - (0)	1	- / - / 1	0
102	E9PIJ7_HUMAN	6	97%	0.61	PF00018	C3_S1	102 - (0)	1	- / - / 1	0
103	Q5U0H7_HUMAN	9	100%	0.56	PF00018	C4_S1	101 - (30)	?	- / 4 / -	0
104	G5E9R1_HUMAN	6	46%	0.64	PF00018	C4_S1	98 - (0)	1	- / - / 1	0
105	SOCS1_HUMAN	6	41%	0.64	PF00018		98 - (36)	?	- / - / -	0
106	P85B_HUMAN	20	87%	0.81	PF00018	C4_S1	95 - (28)	?	1 / 2 / -	0
107	SHB_HUMAN	5	42%	0.55	PF00018		51 - (2)	?	- / - / -	0
108	Q5JY90_HUMAN	8	93%	0.54	PF00018		45 - (2)	?	- / - / -	0
109	B4DTX4_HUMAN	5	99%	0.62	PF00102		44 - (2)	?	- / - / -	0
110	RASA1_HUMAN	4	100%	0.66	PF00102		44 - (2)	?	- / - / -	0
111	D6RJB9_HUMAN	9	43%	0.57	PF00102		32 - (0)	?	- / - / -	0
112	B2RAW1_HUMAN	19	100%	0.61	PF00018		27 - (2)	1	- / - / -	0
113	F8VRV3_HUMAN	12	47%	0.69	PF07525	C4_S1	26 - (0)	1	- / - / 1	0
114	A8KA25_HUMAN	13	43%	0.59	PF00017		25 - (0)	?	- / - / -	0
115	SH2D6_HUMAN	1	44%	0.57	PF00102		24 - (2)	?	- / - / -	0
116	Q5H9R6_HUMAN	15	100%	0.44	PF07525		23 - (0)	?	- / - / -	0
117	Q96EV4_HUMAN	20	84%	0.85	PF00017	C5_S1	22 - (0)	?	- / 2 / 1	0
118	B4DMW5_HUMAN	10	43%	0.59	PF07525		19 - (0)	?	- / - / -	0
119	Q8WWS9_HUMAN	16	97%	0.48	PF02865		19 - (0)	?	- / - / -	0
120	STA5A_HUMAN	13	97%	0.48	PF02865		17 - (0)	?	- / - / -	0
121	Q59H39_HUMAN	13	94%	0.48	PF02865		16 - (0)	?	- / - / -	0
122	STAT1_HUMAN	16	100%	0.76	PF02865	C2_S1	15 - (0)	?	- / 3 / -	0
123	A8K6I5_HUMAN	14	96%	0.55	PF02865		15 - (0)	?	- / - / -	0
124	A8K4S9_HUMAN	11	99%	0.69	PF02865		14 - (0)	?	- / - / -	0
125	F5GZ86_HUMAN	11	100%	0.69	PF02865		13 - (0)	?	- / - / -	0
126	D6R919_HUMAN	13	100%	0.61	PF00018		13 - (0)	?	- / - / -	0
127	B3VCG3_HUMAN	10	28%	0.39	PF07653		12 - (0)	?	- / - / -	0
128	BLNK_HUMAN	7	33%	0.68	PF00018		12 - (0)	?	- / - / -	0
129	A8K910_HUMAN	12	98%	0.72	PF00017		11 - (0)	?	- / - / -	0
130	STAP1_HUMAN	17	100%	0.80	PF07653	C2_S1	11 - (0)	?	1 / - / -	0
131	STAT4_HUMAN	14	66%	0.76	PF02865	C1_S1	11 - (0)	?	- / 3 / -	0
132	Q53SD4_HUMAN	15	92%	0.43	PF07653	C6_S1	10 - (0)	?	1 / - / -	0
133	TENS4_HUMAN	11	58%	0.60	PF00018		10 - (0)	?	- / - / -	0
134	G3V2M6_HUMAN	13	53%	0.73	PF02865	C3_S1	10 - (0)	?	- / 1 / 2	0
135	Q5UBZ2_HUMAN	13	47%	0.61	PF00018		10 - (0)	?	- / - / -	0
136	Q6N0A7_HUMAN	14	52%	0.89	PF02865	C4_S1	9 - (0)	?	- / 1 / 2	0
137	E9PFM5_HUMAN	9	48%	0.55	PF07653		9 - (0)	?	- / - / -	0
138	Q9UFN8_HUMAN	17	73%	0.59	PF07653		9 - (0)	?	- / - / -	0
139	B5BTZ6_HUMAN	12	100%	0.55	PF02865	C2_S1	9 - (0)	?	- / 3 / -	0
140	A1L0S7_HUMAN	13	73%	0.62	PF00018		8 - (0)	?	- / - / -	0
141	E9PF55_HUMAN	14	73%	0.57	PF07653		8 - (0)	?	- / - / -	0
142	TENS3_HUMAN	16	71%	0.52	PF07653		7 - (0)	?	- / - / -	0
143	JAK2_HUMAN	18	100%	0.70	PF00018		6 - (0)	?	- / - / -	0
144	Q9H8D5_HUMAN	18	71%	0.43	PF00018		6 - (0)	?	- / - / -	0

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