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	U1LIR1_9BACL	11	28%	0.22	PF01636	-	0 - (0)	?	- / - / -	0
51	Q13I82_PARXL	18	24%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
52	M2YHJ7_PSEFD	18	36%	0.56	PF01636	-	0 - (0)	?	- / - / -	0
53	D8PII8_9BACT	14	29%	0.41	PF01636	-	0 - (0)	?	- / - / 2	0
54	S2VMB9_9ACTO	9	19%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
55	C2YU92_BACCE	15	26%	0.40	PF01636	-	0 - (0)	?	- / - / 4	0
56	J3HX86_9BRAD	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
57	B4V000_9ACTN	16	19%	0.36	PF01636	-	0 - (0)	?	- / - / 1	0
58	F5Y3R6_RAMTT	12	25%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
59	A9KJ63_LACP7	16	24%	0.37	PF01636	-	0 - (0)	?	- / 1 / 3	0
60	G0QCA2_NANSJ	18	18%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
61	B7DRV0_9BACL	19	21%	0.28	PF01636	-	0 - (0)	?	- / - / 2	0
62	K2AZ88_9BACT	16	18%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
63	S3INB4_BACCE	18	17%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
64	D3E974_GEOS4	20	18%	0.30	PF01636	-	0 - (0)	?	- / - / 5	0
65	D5V1R1_ARCNC	19	26%	0.45	PF01636	-	0 - (0)	?	- / - / 4	0
66	E9EG94_METAQ	12	20%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
67	I8QJM8_9ACTN	13	18%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
68	U7GLX2_9RHOB	18	27%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
69	E8U5N2_DEIML	17	30%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
70	I8QJX0_9ACTN	17	23%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
71	U7FR36_9RHOB	15	20%	0.20	PF01636	-	0 - (0)	?	- / - / -	0
72	V4MY43_9CAUL	17	23%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
73	R8YWL0_ACIPI	17	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
74	D1BRQ1_XYLCX	12	23%	0.14	PF01636	-	0 - (0)	?	- / - / -	0
75	B6QWE1_TALMQ	16	20%	0.25	PF01636	-	0 - (0)	?	- / - / 6	0
76	G8PNP4_PSEUV	17	23%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
77	L7F658_9ACTN	18	21%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
78	Q01SN1_SOLUE	20	22%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
79	H3SFX7_9BACL	16	20%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
80	A3SHE0_ROSNI	19	18%	0.27	PF01636	-	0 - (0)	?	- / - / 2	0
81	K2GIR0_9BACT	12	17%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
82	A5EN54_BRASB	15	18%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
83	G4EMA1_MYCIO	10	20%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
84	J0VYS4_RHILT	8	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
85	I8R023_9ACTN	17	21%	0.26	PF01636	-	0 - (0)	?	- / - / -	0
86	F9F9J8_FUSOF	7	22%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
87	G4D212_9FIRM	11	21%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
88	D2PYS6_KRIFD	21	20%	0.35	PF01636	-	0 - (0)	?	- / - / 4	0
89	E1F4A0_GIAIA	18	20%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
90	G4H9V8_9BACL	18	21%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
91	K2FEF9_9BACT	17	27%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
92	Q5QYF2_IDILO	15	21%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
93	J9Z0Z8_9PROT	20	34%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
94	K0UYZ5_MYCVA	16	22%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
95	J0VAV1_RHIL1	12	26%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
96	T5L6G6_9MICO	18	36%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
97	R5ZCM8_9CLOT	15	19%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
98	H0AB80_HALSG	13	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
99	T0MPI0_9EURY	8	24%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
100	D1YUH5_METPS	10	21%	0.28	PF01636	-	0 - (0)	?	- / - / 5	0

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