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]
300	R5ZCM8_9CLOT	15	19%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
301	H3SQ70_9BACL	15	27%	0.46	PF01636	-	0 - (0)	?	- / - / -	0
302	U2D0X0_9CLOT	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
303	R5PN27_9CLOT	10	21%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
304	E0RY10_BUTPB	21	42%	0.62	PF01636	100.0	0 - (0)	?	- / - / 1	1
305	I0JPC5_HALH3	15	17%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
306	F0Y3S2_AURAN	18	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
307	K0F1R0_9NOCA	18	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
308	K9XQW5_STAC7	12	21%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
309	K2DGB0_9BACT	11	19%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
310	D5ZQ68_STRVD	20	20%	0.37	PF01636	-	0 - (0)	?	- / - / 3	0
311	G0T0J5_RHOT2	11	21%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
312	K6UBX0_9CLOT	16	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
313	D2PKQ6_KRIFD	15	19%	0.39	PF01636	-	0 - (0)	?	- / 1 / 1	0
314	B9JPT8_AGRRK	20	22%	0.32	PF01636	-	0 - (0)	?	- / - / 3	0
315	C8PZG6_9PROT	14	27%	0.42	PF01636	-	0 - (0)	?	- / - / 2	0
316	R8APF5_PLESH	19	18%	0.41	PF01636	-	0 - (0)	?	- / - / 1	0
317	F9PRW1_9FIRM	16	22%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
318	B6BH72_SULGG	20	23%	0.47	PF01636	-	0 - (0)	?	- / - / 7	0
319	B5HLT6_9ACTN	12	17%	0.17	PF01636	-	0 - (0)	?	- / - / 2	0
320	A3JGG7_9ALTE	12	26%	0.29	PF01636	-	0 - (0)	?	- / - / 5	0
321	N1JM59_9BACT	18	23%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
322	U2FGQ1_9BACT	14	25%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
323	R9IMS3_9FIRM	13	27%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
324	D4L2V5_9FIRM	12	23%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
325	S0J7P8_9ENTE	15	19%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
326	K0AVW1_CLOA9	18	18%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
327	F2SXI8_TRIRC	10	27%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
328	M7NF34_9BACL	11	19%	0.13	PF01636	-	0 - (0)	?	- / - / -	0
329	H3ZD64_9ALTE	16	21%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
330	M1P5H5_9CORY	13	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
331	G4HXX3_MYCRH	15	17%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
332	S2YZI8_9CORY	17	38%	0.48	PF01636	61.5	0 - (0)	?	- / - / 5	1
333	G4H9V8_9BACL	18	21%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
334	D2PS12_KRIFD	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / 3	0
335	K7QWY9_THEOS	19	25%	0.46	PF01636	-	0 - (0)	?	- / - / -	0
336	V5HZI6_BYSSN	5	15%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
337	D3Q5J5_STANL	17	28%	0.43	PF01636	-	0 - (0)	?	- / 2 / 7	0
338	Q01SN1_SOLUE	20	22%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
339	B6QWE1_TALMQ	16	20%	0.25	PF01636	-	0 - (0)	?	- / - / 6	0
340	A3TRE0_9MICO	20	21%	0.33	PF01636	-	0 - (0)	?	- / - / 4	0
341	M4U5D4_9GAMM	15	21%	0.47	PF01636	-	0 - (0)	?	- / - / -	0
342	R5LFF7_9FIRM	3	20%	0.30	-	-	0 - (0)	?	- / - / -	0
343	F9F9J8_FUSOF	7	22%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
344	R5XAQ8_9FIRM	18	21%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
345	A8LMB5_DINSH	19	26%	0.33	PF01636	-	0 - (0)	?	- / - / 5	0
346	N1RIR1_FUSC4	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
347	D8PII8_9BACT	14	29%	0.41	PF01636	-	0 - (0)	?	- / - / 2	0
348	K9EH06_9ACTO	10	22%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
349	G8PNP4_PSEUV	17	23%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
350	D9UXT4_9ACTN	16	17%	0.34	PF01636	-	0 - (0)	?	- / - / -	0

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