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]
100	R6BBM7_9CLOT	17	32%	0.29	PF12848	-	0 - (0)	?	- / - / 2	0
101	D3D0J2_9ACTN	14	20%	0.20	PF01636	-	0 - (0)	?	- / - / 1	0
102	E6WJV6_PANSA	18	26%	0.50	-	-	0 - (0)	?	- / - / 1	0
103	Q0STX8_CLOPS	16	26%	0.40	-	-	0 - (0)	?	- / - / 1	0
104	I2JNQ5_9GAMM	20	25%	0.41	PF01636	-	0 - (0)	?	- / - / 1	0
105	G8PTR3_PSEUV	14	25%	0.49	-	-	0 - (0)	?	- / - / 1	0
106	A9CJC3_AGRFC	15	17%	0.28	PF01636	-	0 - (0)	?	- / - / 1	0
107	J4WQ77_9GAMM	18	20%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
108	Q0FV55_PELBH	13	18%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
109	E0RY10_BUTPB	21	42%	0.62	PF01636	100.0	0 - (0)	?	- / - / 1	1
110	R8APF5_PLESH	19	18%	0.41	PF01636	-	0 - (0)	?	- / - / 1	0
111	A9AZC6_HERA2	16	27%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
112	D1BT79_XYLCX	3	23%	0.25	-	-	0 - (0)	?	- / - / 1	0
113	C7PUJ6_CHIPD	18	20%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
114	B4V000_9ACTN	16	19%	0.36	PF01636	-	0 - (0)	?	- / - / 1	0
115	Q70KE3_MICEC	18	35%	0.39	PF01636	100.0	0 - (0)	?	- / - / 1	1
116	R4YUA8_OLEAN	16	26%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
117	E6S7B1_INTC7	17	32%	0.42	PF01636	-	0 - (0)	?	- / - / 1	0
118	C5AGS1_BURGB	18	17%	0.37	PF01636	-	0 - (0)	?	- / - / 1	0
119	S3CRC1_GLAL2	17	20%	0.20	PF01636	-	0 - (0)	?	- / - / 1	0
120	A6FXB4_9DELT	18	21%	0.39	PF01636	-	0 - (0)	?	- / - / 1	0
121	A8M7E1_SALAI	17	19%	0.34	PF01636	-	0 - (0)	?	- / - / 1	0
122	D2NS48_ROTMD	10	27%	0.30	PF01636	-	0 - (0)	?	- / - / 1	0
123	F2K4Y6_MARM1	17	22%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
124	A5EN54_BRASB	15	18%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
125	H5URQ5_9MICO	15	32%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
126	K6UBX0_9CLOT	16	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
127	L1MEV9_9CORY	9	15%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
128	T0MPI0_9EURY	8	24%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
129	G8SGH3_ACTS5	13	26%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
130	R7N9Q7_9FIRM	15	30%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
131	U1MN34_9MICO	8	17%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
132	J9Z0Z8_9PROT	20	34%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
133	D6TTE9_9CHLR	10	17%	0.19	PF01636	-	0 - (0)	?	- / - / -	0
134	G9EJ59_9GAMM	18	17%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
135	R6SSW7_9CLOT	5	16%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
136	K0F1R0_9NOCA	18	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
137	J8JVE5_BACCE	17	23%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
138	K4ZQI4_PAEA2	18	22%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
139	I8QJM8_9ACTN	13	18%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
140	S3N2U0_PSESY	19	18%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
141	F9PRW1_9FIRM	16	22%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
142	J3HX86_9BRAD	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
143	U5WRS4_MYCKA	8	25%	0.47	PF01636	-	0 - (0)	?	- / - / -	0
144	S2YRS5_9FIRM	17	18%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
145	K9XQW5_STAC7	12	21%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
146	R7ISX0_9CLOT	8	16%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
147	R7F7M2_9CLOT	18	18%	0.22	PF01636	-	0 - (0)	?	- / - / -	0
148	M4SKG6_9SPHN	15	21%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
149	H1XXD6_9BACT	7	15%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
150	M1P5H5_9CORY	13	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0

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