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	E5X2I4_9BACE	16	24%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
51	U5WRS4_MYCKA	8	25%	0.47	PF01636	-	0 - (0)	?	- / - / -	0
52	K2FC20_9BACT	19	29%	0.47	PF01636	-	0 - (0)	?	- / 1 / -	0
53	H0AB80_HALSG	13	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
54	R0EPV0_CAUVI	19	24%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
55	B5HLT6_9ACTN	12	17%	0.17	PF01636	-	0 - (0)	?	- / - / 2	0
56	R4YUA8_OLEAN	16	26%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
57	S7Q6Y1_GLOTA	19	34%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
58	Q4FPZ4_PSYA2	12	25%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
59	Q5WLG3_BACSK	14	14%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
60	K1E4J3_9MICO	11	20%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
61	J9Z0Z8_9PROT	20	34%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
62	A8M7E1_SALAI	17	19%	0.34	PF01636	-	0 - (0)	?	- / - / 1	0
63	T0HV56_9SPHN	14	20%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
64	J7L431_NOCAA	11	19%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
65	F5J3B0_9BACT	5	24%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
66	D2PS12_KRIFD	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / 3	0
67	C7NYK6_HALMD	19	19%	0.33	PF01636	-	0 - (0)	?	- / - / 4	0
68	K5XP12_9PROT	15	25%	0.32	PF01636	-	0 - (0)	?	- / - / -	0
69	J0VAV1_RHIL1	12	26%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
70	D5V1R1_ARCNC	19	26%	0.45	PF01636	-	0 - (0)	?	- / - / 4	0
71	D7WCG9_9CORY	10	15%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
72	R6CVQ1_9CLOT	15	23%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
73	A3JM04_9RHOB	19	24%	0.37	PF01636	-	0 - (0)	?	- / - / 3	0
74	I9W4E7_9RALS	17	45%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
75	B2W7V1_PYRTR	16	26%	0.31	PF01636	-	0 - (0)	?	- / - / 5	0
76	C6DKR9_PECCP	20	18%	0.44	PF01636	-	0 - (0)	?	- / 1 / 1	0
77	K2DXG3_9BACT	9	26%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
78	G0QH99_NANS0	16	25%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
79	V5HZI6_BYSSN	5	15%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
80	N9W9J2_9SPHN	17	23%	0.50	PF01636	-	0 - (0)	?	- / - / -	0
81	G2GKJ7_9ACTN	12	30%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
82	Q53826_STRMP	3	26%	0.42	-	-	0 - (0)	?	- / - / -	0
83	G4HXX3_MYCRH	15	17%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
84	K6UBX0_9CLOT	16	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
85	M1P5H5_9CORY	13	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
86	Q0CEV4_ASPTN	12	17%	0.17	PF01636	-	0 - (0)	?	- / - / -	0
87	M3VFL7_9ACTN	17	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
88	M5R1R6_9BACI	18	20%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
89	T5L6G6_9MICO	18	36%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
90	H2JTW9_STRHJ	7	25%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
91	A9KMG0_LACP7	16	22%	0.44	PF01636	-	0 - (0)	?	- / - / 2	0
92	G0SUF3_RHOT2	15	21%	0.21	PF01636	-	0 - (0)	?	- / - / -	0
93	N1RIR1_FUSC4	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
94	E6WJV6_PANSA	18	26%	0.50	-	-	0 - (0)	?	- / - / 1	0
95	F7PTL5_9BACT	11	17%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
96	M4SKG6_9SPHN	15	21%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
97	A6FXB4_9DELT	18	21%	0.39	PF01636	-	0 - (0)	?	- / - / 1	0
98	K0K2H0_SACES	16	21%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
99	R5LFF7_9FIRM	3	20%	0.30	-	-	0 - (0)	?	- / - / -	0
100	G0QCA2_NANSJ	18	18%	0.39	PF01636	-	0 - (0)	?	- / - / -	0

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