Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
APH_2019 (2019 - Bacteria - Aminoglycoside Phosphotransferase)
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 ADP - [nb=125] --> ADENOSINE-5'-DIPHOSPHATE GNP - [nb=106] --> .....ONIC ACID-GUANYLATE ESTER EDO - [nb=47] --> 1,2-ETHANEDIOL GDP - [nb=43] --> GUANOSINE-5'-DIPHOSPHATE AMP - [nb=37] --> ADENOSINE MONOPHOSPHATE KAN - [nb=31] --> KANAMYCIN A ANP - [nb=30] --> .....ONIC ACID-ADENYLATE ESTER PLP - [nb=29] --> PYRIDOXAL-5'-PHOSPHATE DMS - [nb=28] --> DIMETHYL SULFOXIDE ADN - [nb=28] --> ADENOSINE ATP - [nb=27] --> ADENOSINE-5'-TRIPHOSPHATE BEZ - [nb=27] --> BENZOIC ACID NAD - [nb=22] --> .....MIDE-ADENINE-DINUCLEOTIDE FAD - [nb=19] --> .....AVIN-ADENINE DINUCLEOTIDE GMP - [nb=17] --> GUANOSINE ZIT - [nb=17] --> AZITHROMYCIN GOL - [nb=11] --> GLYCEROL NAP - [nb=11] --> .....NE-DINUCLEOTIDE PHOSPHATE PMP - [nb=11] --> .....INOPYRIDOXAL-5'-PHOSPHATE NDP - [nb=10] --> .....NE-DINUCLEOTIDE PHOSPHATE GCP - [nb=9] --> .....ONIC ACID GUANYLATE ESTER HY0 - [nb=8] --> HYGROMYCIN B VARIANT 51G - [nb=7] --> gentamicin C1 P00 - [nb=6] --> .....NEAMINO]OXY-BUTANOIC ACID EXT - [nb=6] --> .....THYL DIHYDROGEN PHOSPHATE ACP - [nb=5] --> .....ONIC ACID ADENYLATE ESTER UNL - [nb=5] --> UNKNOWN LIGAND NBR - [nb=5] --> .....-DIMETHYL-PYRIDIN-4-AMINE PQ7 - [nb=5] --> .....L)BUTYL]BENZYL}PYRIDINIUM HIS - [nb=4] --> HISTIDINE NMY - [nb=4] --> NEOMYCIN JH5 - [nb=4] --> .....O)-1H-1,2,4-TRIAZOL-4-IUM PT3 - [nb=4] --> N-PROPYL-TARTRAMIC ACID LLL - [nb=4] --> .....RAHYDRO-2H-PYRAN-3,5-DIOL ACY - [nb=4] --> ACETIC ACID 5R9 - [nb=3] --> .....pan-1-yl)methyl]quinoline 5R8 - [nb=3] --> .....methyl]phenyl]methanamine HC7 - [nb=3] --> .....4-DIMETHYLMORPHOLIN-4-IUM U85 - [nb=3] --> .....(DIMETHYLAMINO)PYRIDINIUM MES - [nb=3] --> .....LINO)-ETHANESULFONIC ACID HC6 - [nb=3] --> .....-DIMETHYLMORPHOLIN-4-IUM) GQG - [nb=2] --> .....HYL]PYRIDIN-1-IUM-4-AMINE QLW - [nb=2] --> .....HYL]PYRIDIN-1-IUM-4-AMINE POI - [nb=2] --> .....-4-YL}METHYL)-L-ORNITHINE FDA - [nb=2] --> .....VINE-ADENINE DINUCLEOTIDE 84G - [nb=2] --> Arbekacin TOY - [nb=2] --> TOBRAMYCIN EMO - [nb=2] --> .....8-TRIHYDROXYANTHRAQUINONE MPD - [nb=2] --> .....-2-METHYL-2,4-PENTANEDIOL 7F7 - [nb=2] --> .....thyl dihydrogen phosphate PPE - [nb=2] --> .....PHONOOXYMETHYL-PYRIDINIUM JFN - [nb=2] --> .....)-1-methoxypropan-2-amine B31 - [nb=2] --> .....EXYL]-2-HYDROXYBUTANAMIDE LCS - [nb=2] --> .....THYL DIHYDROGEN PHOSPHATE ERY - [nb=2] --> ERYTHROMYCIN A GLY - [nb=2] --> GLYCINE MAL - [nb=2] --> SUGAR (MALTOSE) 9X1 - [nb=2] --> .....hyl)amino]quinolin-1-ium} NDG - [nb=2] --> .....-DEOXY-A-D-GLUCOPYRANOSE) 84D - [nb=2] --> Dibekacin SIS - [nb=1] --> .....-beta-L-arabinopyranoside SRY - [nb=1] --> STREPTOMYCIN ELP - [nb=1] --> .....HENYLETHYLPHOSPHONIC ACID COS - [nb=1] --> COENZYME A PERSULFIDE QUE - [nb=1] --> .....3',4'-PENTAHYDROXYFLAVONE DCS - [nb=1] --> .....THYL]-N,O-CYCLOSERYLAMIDE 5PA - [nb=1] --> .....CLOPROPANECARBOXYLIC ACID 0H7 - [nb=1] --> .....ROTHIOPHEN-2-YL)]METHANOL 0WB - [nb=1] --> .....THIAZOL-4-YL}BENZONITRILE GET - [nb=1] --> GENETICIN CAA - [nb=1] --> ACETOACETYL-COENZYME A CKI - [nb=1] --> .....SOQUINOLINE-8-SULFONAMIDE STU - [nb=1] --> STAUROSPORINE DAT - [nb=1] --> .....YADENOSINE-5'-DIPHOSPHATE EPC - [nb=1] --> .....MINO]ETHYLPHOSPHONIC ACID GN1 - [nb=1] --> .....NO-ALPHA-D-GLUCOPYRANOSE) BAX - [nb=1] --> .....HYLPYRIDINE-2-CARBOXAMIDE CBO - [nb=1] --> CARBENOXOLONE ABU - [nb=1] --> GAMMA-AMINO-BUTANOIC ACID ALA - [nb=1] --> ALANINE ARG - [nb=1] --> ARGININE OOQ - [nb=1] --> .....umyl]-4-methyl-pentanoate EDS - [nb=1] --> .....exyl]-2-hydroxybutanamide HCP - [nb=1] --> .....YCLOPENTYLPHOSPHONIC ACID MPM - [nb=1] --> .....THYLPROPYLPHOSPHONIC ACID G8S - [nb=1] --> .....L)BUTYL]BENZYL}PYRIDINIUM A2G - [nb=1] --> .....-DEOXY-2-AMINO-GALACTOSE) FMT - [nb=1] --> FORMIC ACID	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
50	C9Z3E0_STRSW	18	23%	0.34	PF01202	-	0 - (0)	?	- / 5 / -	0
51	A4ZPY7_CHRVL	19	26%	0.47	PF01636	-	0 - (0)	?	- / - / 3	0
52	H2JTW9_STRHJ	7	25%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
53	D1A4X4_THECD	18	22%	0.29	PF01636	-	0 - (0)	?	- / - / 3	0
54	F5YRU0_MYCSD	22	49%	0.57	-	100.0	0 - (0)	?	- / 1 / 9	2
55	A9KMG0_LACP7	16	22%	0.44	PF01636	-	0 - (0)	?	- / - / 2	0
56	R5KKB2_9CLOT	9	24%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
57	F5XQE5_MICPN	13	19%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
58	G4HXX3_MYCRH	15	17%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
59	G8PNP4_PSEUV	17	23%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
60	R8YWL0_ACIPI	17	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
61	N1VVK0_9LEPT	18	24%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
62	Q70KE3_MICEC	18	35%	0.39	PF01636	100.0	0 - (0)	?	- / - / 1	1
63	Q12K05_SHEDO	16	17%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
64	D6TTE9_9CHLR	10	17%	0.19	PF01636	-	0 - (0)	?	- / - / -	0
65	V4MY43_9CAUL	17	23%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
66	H1XXD6_9BACT	7	15%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
67	R8APF5_PLESH	19	18%	0.41	PF01636	-	0 - (0)	?	- / - / 1	0
68	A8LMB5_DINSH	19	26%	0.33	PF01636	-	0 - (0)	?	- / - / 5	0
69	R6BBM7_9CLOT	17	32%	0.29	PF12848	-	0 - (0)	?	- / - / 2	0
70	D2NS48_ROTMD	10	27%	0.30	PF01636	-	0 - (0)	?	- / - / 1	0
71	C7PUJ6_CHIPD	18	20%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
72	Q2FNY6_METHJ	11	24%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
73	R6QK77_9CLOT	4	26%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
74	N4WMQ4_9BACI	20	23%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
75	K9H3M2_9PROT	20	35%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
76	I8QJM8_9ACTN	13	18%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
77	S3CRC1_GLAL2	17	20%	0.20	PF01636	-	0 - (0)	?	- / - / 1	0
78	Q48AV8_COLP3	18	18%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
79	C7NMJ1_HALUD	21	18%	0.29	PF01636	-	0 - (0)	?	- / - / 2	0
80	G9BAQ3_9ARCH	14	24%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
81	KHYB_ECOLX	19	100%	0.51	PF01636	-	0 - (0)	?	- / - / 12	0
82	R6SSW7_9CLOT	5	16%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
83	B5X3C6_SALSA	41	35%	0.20	PF00561	-	0 - (0)	?	- / - / 30	0
84	A0AWX6_ARTS2	10	20%	0.34	PF01636	-	0 - (0)	?	- / 1 / 7	0
85	J7L431_NOCAA	11	19%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
86	C5FE38_ARTOC	13	18%	0.21	PF01636	-	0 - (0)	?	- / - / 3	0
87	D6U7Z0_9CHLR	17	26%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
88	D2Q2U7_KRIFD	17	27%	0.32	PF01636	-	0 - (0)	?	- / - / 2	0
89	K4ZQI4_PAEA2	18	22%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
90	G2XFR5_VERDV	0	23%	0.15	-	-	0 - (0)	?	- / - / -	0
91	K2DGB0_9BACT	11	19%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
92	B7DRV0_9BACL	19	21%	0.28	PF01636	-	0 - (0)	?	- / - / 2	0
93	A6CIE6_9BACI	29	31%	0.48	PF01636	-	0 - (0)	?	- / - / 10	0
94	E0RY10_BUTPB	21	42%	0.62	PF01636	100.0	0 - (0)	?	- / - / 1	1
95	D3QBL2_STANL	10	31%	0.23	PF01636	-	0 - (0)	?	- / - / 6	0
96	E8U5N2_DEIML	17	30%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
97	D9UXT4_9ACTN	16	17%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
98	D2Q2Q9_KRIFD	14	23%	0.51	PF01636	-	0 - (0)	?	- / - / 10	0
99	F2K4Y6_MARM1	17	22%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
100	I0JPC5_HALH3	15	17%	0.37	PF01636	-	0 - (0)	?	- / - / -	0

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