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	E7EPG8_HUMAN	24	100%	0.81	PF00018	C3_S1	245 - (75)	2	1 / 1 / 6	1
101	SHIP2_HUMAN	17	100%	0.52	PF00018	C1_S1	184 - (2)	?	- / 1 / 1	0
102	SHD_HUMAN	3	56%	0.70	PF00018		162 - (2)	?	- / - / -	0
103	SH21B_HUMAN	14	72%	0.65	PF00018	C2_S1	222 - (75)	1	- / 1 / 3	0
104	C3W981_HUMAN	15	100%	0.53	PF00018	C2_S1	225 - (74)	0	- / - / 3	0
105	VAV2_HUMAN	12	100%	0.66	PF00018	C2_S1	114 - (2)	?	- / - / 3	0
106	Q53EL0_HUMAN	19	100%	0.71	PF00018	C3_S1	210 - (87)	1	- / - / 3	1
107	ZAP70_HUMAN	19	100%	0.79	PF00018	C2_S1	257 - (79)	2	- / 1 / 9	0
108	E7EWB7_HUMAN	3	49%	0.60	PF00018		108 - (0)	?	- / - / -	0
109	Q9NPN8_HUMAN	2	46%	0.69	PF00018		168 - (2)	?	- / - / -	0
110	Q6FHA6_HUMAN	77	96%	0.72	PF00018	C1_S1	186 - (2)	18	3 / 67 / 4	9
111	B3KWE9_HUMAN	5	73%	0.69	PF00018	C1_S1	210 - (87)	?	- / - / 1	0
112	B7Z7F9_HUMAN	23	100%	0.63	PF00018	C2_S1	251 - (84)	4	- / 2 / 5	1
113	F5GY79_HUMAN	20	100%	0.59	PF00018	C2_S1	229 - (87)	1	- / - / 2	0
114	B4E3H3_HUMAN	11	91%	0.70	PF00018	C2_S1	212 - (74)	?	- / - / 5	0
115	CRK_HUMAN	18	100%	0.74	PF00018	C6_S1	215 - (85)	?	- / - / 2	0
116	CRKL_HUMAN	18	100%	0.79	PF00018	C1_S1	248 - (77)	1	- / - / 2	0
117	PLCG1_HUMAN	5	100%	0.72	PF00018		215 - (81)	?	- / - / -	0
118	B4DMA3_HUMAN	6	99%	0.72	PF00018		227 - (81)	?	- / - / -	0
119	C3W980_HUMAN	16	100%	0.56	PF00018	C2_S1	243 - (95)	1	- / 1 / 8	1
120	D6RJB9_HUMAN	9	43%	0.57	PF00102		32 - (0)	?	- / - / -	0
121	RASA1_HUMAN	4	100%	0.66	PF00102		44 - (2)	?	- / - / -	0
122	B4DTX4_HUMAN	5	99%	0.62	PF00102		44 - (2)	?	- / - / -	0
123	SH2D6_HUMAN	1	44%	0.57	PF00102		24 - (2)	?	- / - / -	0
124	B5BTZ6_HUMAN	12	100%	0.55	PF02865	C2_S1	9 - (0)	?	- / 3 / -	0
125	Q8WWS9_HUMAN	16	97%	0.48	PF02865		19 - (0)	?	- / - / -	0
126	STA5A_HUMAN	13	97%	0.48	PF02865		17 - (0)	?	- / - / -	0
127	A8K6I5_HUMAN	14	96%	0.55	PF02865		15 - (0)	?	- / - / -	0
128	Q59H39_HUMAN	13	94%	0.48	PF02865		16 - (0)	?	- / - / -	0
129	F5GZ86_HUMAN	11	100%	0.69	PF02865		13 - (0)	?	- / - / -	0
130	A8K4S9_HUMAN	11	99%	0.69	PF02865		14 - (0)	?	- / - / -	0
131	Q6N0A7_HUMAN	14	52%	0.89	PF02865	C4_S1	9 - (0)	?	- / 1 / 2	0
132	G3V2M6_HUMAN	13	53%	0.73	PF02865	C3_S1	10 - (0)	?	- / 1 / 2	0
133	STAT4_HUMAN	14	66%	0.76	PF02865	C1_S1	11 - (0)	?	- / 3 / -	0
134	STAT1_HUMAN	16	100%	0.76	PF02865	C2_S1	15 - (0)	?	- / 3 / -	0
135	Q5H9R6_HUMAN	15	100%	0.44	PF07525		23 - (0)	?	- / - / -	0
136	B4DMW5_HUMAN	10	43%	0.59	PF07525		19 - (0)	?	- / - / -	0
137	F8VRV3_HUMAN	12	47%	0.69	PF07525	C4_S1	26 - (0)	1	- / - / 1	0
138	E9PF55_HUMAN	14	73%	0.57	PF07653		8 - (0)	?	- / - / -	0
139	Q53SD4_HUMAN	15	92%	0.43	PF07653	C6_S1	10 - (0)	?	1 / - / -	0
140	Q9UFN8_HUMAN	17	73%	0.59	PF07653		9 - (0)	?	- / - / -	0
141	B3VCG3_HUMAN	10	28%	0.39	PF07653		12 - (0)	?	- / - / -	0
142	TENS3_HUMAN	16	71%	0.52	PF07653		7 - (0)	?	- / - / -	0
143	E9PFM5_HUMAN	9	48%	0.55	PF07653		9 - (0)	?	- / - / -	0
144	STAP1_HUMAN	17	100%	0.80	PF07653	C2_S1	11 - (0)	?	1 / - / -	0

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