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]
200	B9JPT8_AGRRK	20	22%	0.32	PF01636	-	0 - (0)	?	- / - / 3	0
201	C1B3I2_RHOOB	17	22%	0.35	PF01636	-	0 - (0)	?	- / - / 5	0
202	Q01SN1_SOLUE	20	22%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
203	M1P5H5_9CORY	13	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
204	R6HFK3_9CLOT	15	22%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
205	K9EH06_9ACTO	10	22%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
206	F8KWK6_PARAV	15	22%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
207	F9F9J8_FUSOF	7	22%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
208	I8R023_9ACTN	17	21%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
209	R5XAQ8_9FIRM	18	21%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
210	A5ELQ6_BRASB	20	21%	0.27	PF01636	-	0 - (0)	?	- / - / 7	0
211	K2DLA7_9BACT	12	21%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
212	M4SKG6_9SPHN	15	21%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
213	B7DRV0_9BACL	19	21%	0.28	PF01636	-	0 - (0)	?	- / - / 2	0
214	R5KNI5_9CLOT	18	21%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
215	D1YUH5_METPS	10	21%	0.28	PF01636	-	0 - (0)	?	- / - / 5	0
216	A1T6B2_MYCVP	20	21%	0.39	PF01636	-	0 - (0)	?	- / - / 3	0
217	Q5QYF2_IDILO	15	21%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
218	K0K2H0_SACES	16	21%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
219	U2D0X0_9CLOT	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
220	C9RNP1_FIBSS	13	21%	0.40	PF01636	-	0 - (0)	?	- / - / 5	0
221	A6FXB4_9DELT	18	21%	0.39	PF01636	-	0 - (0)	?	- / - / 1	0
222	K9XQW5_STAC7	12	21%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
223	G0SUF3_RHOT2	15	21%	0.21	PF01636	-	0 - (0)	?	- / - / -	0
224	D2PS12_KRIFD	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / 3	0
225	A3TRE0_9MICO	20	21%	0.33	PF01636	-	0 - (0)	?	- / - / 4	0
226	D3Q375_STANL	15	21%	0.30	PF01636	-	0 - (0)	?	- / - / 2	0
227	E4NV09_HALBP	16	21%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
228	G0T0J5_RHOT2	11	21%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
229	L7F658_9ACTN	18	21%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
230	R4VTI4_9EURY	19	21%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
231	H3ZD64_9ALTE	16	21%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
232	I1AZM6_9RHOB	16	21%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
233	G4D212_9FIRM	11	21%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
234	M4U5D4_9GAMM	15	21%	0.47	PF01636	-	0 - (0)	?	- / - / -	0
235	I0I791_CALAS	18	21%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
236	R5PN27_9CLOT	10	21%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
237	G4H9V8_9BACL	18	21%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
238	R7XWV2_9ACTN	20	20%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
239	R6M6R3_9CLOT	18	20%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
240	K4KMB0_SIMAS	14	20%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
241	Q21D31_RHOPB	13	20%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
242	J4WQ77_9GAMM	18	20%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
243	H6BWA9_EXODN	16	20%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
244	T0HV56_9SPHN	14	20%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
245	B6QWE1_TALMQ	16	20%	0.25	PF01636	-	0 - (0)	?	- / - / 6	0
246	U2E739_9BACT	18	20%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
247	G4EMA1_MYCIO	10	20%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
248	K2FWB2_9BACT	17	20%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
249	S3CRC1_GLAL2	17	20%	0.20	PF01636	-	0 - (0)	?	- / - / 1	0
250	D2PYS6_KRIFD	21	20%	0.35	PF01636	-	0 - (0)	?	- / - / 4	0

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