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	SHC3_HUMAN	3	65%	0.74	PF00018	C2_S1	220 - (83)	?	- / - / 1	0
101	Q5JY90_HUMAN	8	93%	0.54	PF00018		45 - (2)	?	- / - / -	0
102	SHC2_HUMAN	5	72%	0.67	PF00018	C3_S1	214 - (79)	?	- / - / 1	0
103	PLCG1_HUMAN	5	100%	0.72	PF00018		215 - (81)	?	- / - / -	0
104	CRK_HUMAN	18	100%	0.74	PF00018	C6_S1	215 - (85)	?	- / - / 2	0
105	TENS4_HUMAN	11	58%	0.60	PF00018		10 - (0)	?	- / - / -	0
106	TENS3_HUMAN	16	71%	0.52	PF07653		7 - (0)	?	- / - / -	0
107	C9JAB9_HUMAN	9	100%	0.61	PF00018	C2_S1	239 - (93)	?	- / 7 / -	0
108	B4DL02_HUMAN	3	98%	0.79	PF00018	C1_S1	215 - (77)	?	- / - / 1	0
109	B3KWE9_HUMAN	5	73%	0.69	PF00018	C1_S1	210 - (87)	?	- / - / 1	0
110	B4DMA3_HUMAN	6	99%	0.72	PF00018		227 - (81)	?	- / - / -	0
111	D6RJB9_HUMAN	9	43%	0.57	PF00102		32 - (0)	?	- / - / -	0
112	B4DMW5_HUMAN	10	43%	0.59	PF07525		19 - (0)	?	- / - / -	0
113	A8K6I5_HUMAN	14	96%	0.55	PF02865		15 - (0)	?	- / - / -	0
114	A8K4S9_HUMAN	11	99%	0.69	PF02865		14 - (0)	?	- / - / -	0
115	B4DLN5_HUMAN	16	93%	0.60	PF00017	C3_S1	125 - (42)	0	- / 4 / 2	0
116	Q9H8D5_HUMAN	18	71%	0.43	PF00018		6 - (0)	?	- / - / -	0
117	Q5U0H7_HUMAN	9	100%	0.56	PF00018	C4_S1	101 - (30)	?	- / 4 / -	0
118	Q2MD52_HUMAN	12	91%	0.51	PF00018		138 - (60)	?	- / - / -	0
119	E9PF55_HUMAN	14	73%	0.57	PF07653		8 - (0)	?	- / - / -	0
120	STA5A_HUMAN	13	97%	0.48	PF02865		17 - (0)	?	- / - / -	0
121	Q6N0A7_HUMAN	14	52%	0.89	PF02865	C4_S1	9 - (0)	?	- / 1 / 2	0
122	Q8WWS9_HUMAN	16	97%	0.48	PF02865		19 - (0)	?	- / - / -	0
123	B5MDS8_HUMAN	7	63%	0.47	PF00018	C3_S1	111 - (27)	?	- / 1 / 1	0
124	HSH2D_HUMAN	5	100%	0.56	PF00017		114 - (2)	?	- / - / -	0
125	SOCS7_HUMAN	8	59%	0.40	PF00018	C5_S1	111 - (26)	?	- / 1 / -	0
126	PTK6_HUMAN	6	100%	0.53	PF00018		254 - (84)	0	- / - / -	0
127	Q5TEW3_HUMAN	10	50%	0.52	PF00018	C5_S1	209 - (85)	?	- / 1 / -	0
128	B3VCG3_HUMAN	10	28%	0.39	PF07653		12 - (0)	?	- / - / -	0
129	SH2D6_HUMAN	1	44%	0.57	PF00102		24 - (2)	?	- / - / -	0
130	Q5H9R6_HUMAN	15	100%	0.44	PF07525		23 - (0)	?	- / - / -	0
131	E9PFM5_HUMAN	9	48%	0.55	PF07653		9 - (0)	?	- / - / -	0
132	SHE_HUMAN	5	37%	0.65	PF00018		109 - (0)	?	- / - / -	0
133	SH24A_HUMAN	4	39%	0.42	PF00018		202 - (80)	?	- / - / -	0
134	A8K2M8_HUMAN	7	50%	0.61	PF00018	C2_S1	110 - (0)	?	- / 1 / -	0
135	F5GY53_HUMAN	17	93%	0.74	PF00018	C3_S1	116 - (42)	0	- / 5 / 1	0
136	A1L0S7_HUMAN	13	73%	0.62	PF00018		8 - (0)	?	- / - / -	0
137	Q16176_HUMAN	8	96%	0.69	PF00018		235 - (77)	?	- / - / -	0
138	G3V2M6_HUMAN	13	53%	0.73	PF02865	C3_S1	10 - (0)	?	- / 1 / 2	0
139	STAP1_HUMAN	17	100%	0.80	PF07653	C2_S1	11 - (0)	?	1 / - / -	0
140	E7EMU8_HUMAN	19	91%	0.84	PF00018	C7_S1	194 - (73)	?	- / 2 / 1	0
141	SRMS_HUMAN	4	45%	0.69	PF00018		243 - (83)	0	- / - / -	0
142	SOCS1_HUMAN	6	41%	0.64	PF00018		98 - (36)	?	- / - / -	0
143	A7E2A6_HUMAN	11	100%	0.62	PF00018		176 - (76)	?	- / - / -	0
144	STAT1_HUMAN	16	100%	0.76	PF02865	C2_S1	15 - (0)	?	- / 3 / -	0

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