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	FER_HUMAN	9	100%	0.56	PF00018		222 - (77)	1	- / - / -	0
101	Q8N381_HUMAN	9	79%	0.80	PF00018	C3_S1	250 - (84)	1	- / 1 / 2	1
102	Q5U0H7_HUMAN	9	100%	0.56	PF00018	C4_S1	101 - (30)	?	- / 4 / -	0
103	E9PFM5_HUMAN	9	48%	0.55	PF07653		9 - (0)	?	- / - / -	0
104	D6RJB9_HUMAN	9	43%	0.57	PF00102		32 - (0)	?	- / - / -	0
105	Q53TG4_HUMAN	9	100%	0.62	PF00018	C2_S1	241 - (92)	0	- / 7 / -	0
106	H0Y5X5_HUMAN	9	46%	0.61	PF00018	C4_S1	165 - (63)	1	- / - / 1	0
107	C9JAB9_HUMAN	9	100%	0.61	PF00018	C2_S1	239 - (93)	?	- / 7 / -	0
108	SOCS6_HUMAN	8	100%	0.66	PF00018	C4_S1	185 - (73)	1	2 / - / 1	0
109	SOCS7_HUMAN	8	59%	0.40	PF00018	C5_S1	111 - (26)	?	- / 1 / -	0
110	Q5JY90_HUMAN	8	93%	0.54	PF00018		45 - (2)	?	- / - / -	0
111	Q16176_HUMAN	8	96%	0.69	PF00018		235 - (77)	?	- / - / -	0
112	A8K2M8_HUMAN	7	50%	0.61	PF00018	C2_S1	110 - (0)	?	- / 1 / -	0
113	BLNK_HUMAN	7	33%	0.68	PF00018		12 - (0)	?	- / - / -	0
114	Q5VZS4_HUMAN	7	47%	0.64	PF00018		154 - (2)	?	- / - / -	0
115	B5MDS8_HUMAN	7	63%	0.47	PF00018	C3_S1	111 - (27)	?	- / 1 / 1	0
116	G5E9R1_HUMAN	6	46%	0.64	PF00018	C4_S1	98 - (0)	1	- / - / 1	0
117	PTK6_HUMAN	6	100%	0.53	PF00018		254 - (84)	0	- / - / -	0
118	E9PIJ7_HUMAN	6	97%	0.61	PF00018	C3_S1	102 - (0)	1	- / - / 1	0
119	Q5UBZ1_HUMAN	6	47%	0.66	PF00018		132 - (2)	?	- / - / -	0
120	H3BU69_HUMAN	6	98%	0.62	PF00018		226 - (92)	?	- / - / -	0
121	B4DMA3_HUMAN	6	99%	0.72	PF00018		227 - (81)	?	- / - / -	0
122	F1T0G6_HUMAN	6	100%	0.69	PF00018		246 - (77)	?	- / - / -	0
123	SOCS1_HUMAN	6	41%	0.64	PF00018		98 - (36)	?	- / - / -	0
124	CHIN_HUMAN	6	100%	0.64	PF00018		207 - (1)	?	- / - / -	0
125	SHB_HUMAN	5	42%	0.55	PF00018		51 - (2)	?	- / - / -	0
126	B4DTX4_HUMAN	5	99%	0.62	PF00102		44 - (2)	?	- / - / -	0
127	SH2D7_HUMAN	5	43%	0.55	PF00018		203 - (80)	1	- / - / -	0
128	HSH2D_HUMAN	5	100%	0.56	PF00017		114 - (2)	?	- / - / -	0
129	B7Z1V0_HUMAN	5	79%	0.69	PF00018		149 - (0)	0	- / - / -	0
130	B3KWE9_HUMAN	5	73%	0.69	PF00018	C1_S1	210 - (87)	?	- / - / 1	0
131	SHC2_HUMAN	5	72%	0.67	PF00018	C3_S1	214 - (79)	?	- / - / 1	0
132	PLCG1_HUMAN	5	100%	0.72	PF00018		215 - (81)	?	- / - / -	0
133	SHE_HUMAN	5	37%	0.65	PF00018		109 - (0)	?	- / - / -	0
134	RASA1_HUMAN	4	100%	0.66	PF00102		44 - (2)	?	- / - / -	0
135	SH24A_HUMAN	4	39%	0.42	PF00018		202 - (80)	?	- / - / -	0
136	SRMS_HUMAN	4	45%	0.69	PF00018		243 - (83)	0	- / - / -	0
137	SHC3_HUMAN	3	65%	0.74	PF00018	C2_S1	220 - (83)	?	- / - / 1	0
138	SH24B_HUMAN	3	49%	0.52	PF00018		187 - (2)	?	- / - / -	0
139	B4DL02_HUMAN	3	98%	0.79	PF00018	C1_S1	215 - (77)	?	- / - / 1	0
140	H0YD89_HUMAN	3	45%	0.64	PF00018		237 - (90)	?	- / - / -	0
141	SHD_HUMAN	3	56%	0.70	PF00018		162 - (2)	?	- / - / -	0
142	E7EWB7_HUMAN	3	49%	0.60	PF00018		108 - (0)	?	- / - / -	0
143	Q9NPN8_HUMAN	2	46%	0.69	PF00018		168 - (2)	?	- / - / -	0
144	SH2D6_HUMAN	1	44%	0.57	PF00102		24 - (2)	?	- / - / -	0

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