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	G5E9R1_HUMAN	6	46%	0.64	PF00018	C4_S1	98 - (0)	1	- / - / 1	0
101	PTK6_HUMAN	6	100%	0.53	PF00018		254 - (84)	0	- / - / -	0
102	H0Y5X5_HUMAN	9	46%	0.61	PF00018	C4_S1	165 - (63)	1	- / - / 1	0
103	B4DL02_HUMAN	3	98%	0.79	PF00018	C1_S1	215 - (77)	?	- / - / 1	0
104	Q9NPN8_HUMAN	2	46%	0.69	PF00018		168 - (2)	?	- / - / -	0
105	Q59H39_HUMAN	13	94%	0.48	PF02865		16 - (0)	?	- / - / -	0
106	B4DTX4_HUMAN	5	99%	0.62	PF00102		44 - (2)	?	- / - / -	0
107	G3V2M6_HUMAN	13	53%	0.73	PF02865	C3_S1	10 - (0)	?	- / 1 / 2	0
108	A8K910_HUMAN	12	98%	0.72	PF00017		11 - (0)	?	- / - / -	0
109	STA5A_HUMAN	13	97%	0.48	PF02865		17 - (0)	?	- / - / -	0
110	Q5JY90_HUMAN	8	93%	0.54	PF00018		45 - (2)	?	- / - / -	0
111	B7Z2N8_HUMAN	19	100%	0.83	PF00018	C5_S1	135 - (2)	?	1 / 2 / -	0
112	ITK_HUMAN	20	92%	0.61	PF00018	C2_S1	162 - (59)	1	- / - / 1	0
113	Q5H9R6_HUMAN	15	100%	0.44	PF07525		23 - (0)	?	- / - / -	0
114	A8K709_HUMAN	18	100%	0.70	PF00018	C2_S1	200 - (66)	2	- / - / 1	0
115	F5GYM4_HUMAN	17	76%	0.78	PF00018	C1_S1	114 - (40)	?	- / 4 / 2	0
116	Q6N0A7_HUMAN	14	52%	0.89	PF02865	C4_S1	9 - (0)	?	- / 1 / 2	0
117	SOCS6_HUMAN	8	100%	0.66	PF00018	C4_S1	185 - (73)	1	2 / - / 1	0
118	SHE_HUMAN	5	37%	0.65	PF00018		109 - (0)	?	- / - / -	0
119	SRMS_HUMAN	4	45%	0.69	PF00018		243 - (83)	0	- / - / -	0
120	A8K2M8_HUMAN	7	50%	0.61	PF00018	C2_S1	110 - (0)	?	- / 1 / -	0
121	P85B_HUMAN	20	87%	0.81	PF00018	C4_S1	95 - (28)	?	1 / 2 / -	0
122	Q16176_HUMAN	8	96%	0.69	PF00018		235 - (77)	?	- / - / -	0
123	A7E2A6_HUMAN	11	100%	0.62	PF00018		176 - (76)	?	- / - / -	0
124	FES_HUMAN	15	100%	0.45	PF00018		105 - (0)	1	- / - / -	0
125	SHC2_HUMAN	5	72%	0.67	PF00018	C3_S1	214 - (79)	?	- / - / 1	0
126	ZAP70_HUMAN	19	100%	0.79	PF00018	C2_S1	257 - (79)	2	- / 1 / 9	0
127	SOCS1_HUMAN	6	41%	0.64	PF00018		98 - (36)	?	- / - / -	0
128	B4DLN5_HUMAN	16	93%	0.60	PF00017	C3_S1	125 - (42)	0	- / 4 / 2	0
129	SHC3_HUMAN	3	65%	0.74	PF00018	C2_S1	220 - (83)	?	- / - / 1	0
130	Q53TG4_HUMAN	9	100%	0.62	PF00018	C2_S1	241 - (92)	0	- / 7 / -	0
131	SHD_HUMAN	3	56%	0.70	PF00018		162 - (2)	?	- / - / -	0
132	TEC_HUMAN	15	57%	0.64	PF00018	C2_S1	105 - (0)	1	- / - / 1	0
133	P85A_HUMAN	20	100%	0.86	PF00018	C4_S1	124 - (2)	?	1 / 2 / -	0
134	Q53SD4_HUMAN	15	92%	0.43	PF07653	C6_S1	10 - (0)	?	1 / - / -	0
135	D6RJB9_HUMAN	9	43%	0.57	PF00102		32 - (0)	?	- / - / -	0
136	F5GZ86_HUMAN	11	100%	0.69	PF02865		13 - (0)	?	- / - / -	0
137	Q5UBZ1_HUMAN	6	47%	0.66	PF00018		132 - (2)	?	- / - / -	0
138	B7Z1V0_HUMAN	5	79%	0.69	PF00018		149 - (0)	0	- / - / -	0
139	SH2B2_HUMAN	14	96%	0.73	PF00018	C3_S1	148 - (44)	0	- / 4 / 2	0
140	Q96EV4_HUMAN	20	84%	0.85	PF00017	C5_S1	22 - (0)	?	- / 2 / 1	0
141	JAK2_HUMAN	18	100%	0.70	PF00018		6 - (0)	?	- / - / -	0
142	E9PFM5_HUMAN	9	48%	0.55	PF07653		9 - (0)	?	- / - / -	0
143	TENS4_HUMAN	11	58%	0.60	PF00018		10 - (0)	?	- / - / -	0
144	H0YBC2_HUMAN	19	100%	0.80	PF00018	C6_S1	143 - (2)	?	- / 1 / 2	0

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