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]
150	H3SLV1_9BACL	10	28%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
151	M3VFL7_9ACTN	17	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
152	Q1J3L5_DEIGD	19	23%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
153	E0PSQ6_STRMT	10	28%	0.56	PF01636	-	0 - (0)	?	- / - / -	0
154	K2DLA7_9BACT	12	21%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
155	K6UBX0_9CLOT	16	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
156	K0HVN5_9BURK	16	27%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
157	R4VTI4_9EURY	19	21%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
158	H1XXD6_9BACT	7	15%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
159	R4YP55_OLEAN	15	24%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
160	G0QH99_NANS0	16	25%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
161	D4L2V5_9FIRM	12	23%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
162	U2FMB4_9BURK	18	19%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
163	H5URQ5_9MICO	15	32%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
164	Q01SN1_SOLUE	20	22%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
165	Q21D31_RHOPB	13	20%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
166	U1LW46_9GAMM	16	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
167	K2E0C8_9BACT	15	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
168	I2JQ76_9GAMM	16	23%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
169	L8LWE4_9CYAN	17	23%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
170	M0BR84_9EURY	18	19%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
171	F0Y3S2_AURAN	18	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
172	S9SKL5_PAEAL	18	24%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
173	L1QEA3_9CLOT	16	24%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
174	M4SKG6_9SPHN	15	21%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
175	K1ZM94_9BACT	18	22%	0.46	PF01636	-	0 - (0)	?	- / - / -	0
176	K1E4J3_9MICO	11	20%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
177	Q4FPZ4_PSYA2	12	25%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
178	J3HX86_9BRAD	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
179	E8PLS8_THESS	16	23%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
180	R7N9Q7_9FIRM	15	30%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
181	R6QK77_9CLOT	4	26%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
182	L8MGD7_9PSED	17	25%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
183	R8YWL0_ACIPI	17	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
184	Q5WC41_BACSK	17	24%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
185	T0MPI0_9EURY	8	24%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
186	M3VCI0_9ACTN	13	25%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
187	G4HXX3_MYCRH	15	17%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
188	E9EG94_METAQ	12	20%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
189	K2E333_9BACT	17	18%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
190	V4MY43_9CAUL	17	23%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
191	K0AVW1_CLOA9	18	18%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
192	G2GKJ7_9ACTN	12	30%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
193	Q08P17_STIAD	19	30%	0.48	PF01636	-	0 - (0)	?	- / - / -	0
194	Q5QYF2_IDILO	15	21%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
195	U7GLX2_9RHOB	18	27%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
196	C8X4P4_DESRD	6	24%	0.19	PF01895	-	0 - (0)	?	- / - / -	0
197	J0VAV1_RHIL1	12	26%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
198	H2JTW9_STRHJ	7	25%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
199	U2D2P5_9FIRM	17	27%	0.48	PF01636	-	0 - (0)	?	- / - / -	0
200	R5KNI5_9CLOT	18	21%	0.35	PF01636	-	0 - (0)	?	- / - / -	0

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