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]
100	L1MEV9_9CORY	9	15%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
101	G2J9H1_9BURK	15	37%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
102	R6SSW7_9CLOT	5	16%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
103	E3B9U0_9MICO	11	20%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
104	K2E0C8_9BACT	15	22%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
105	B7JCH6_ECOLX	18	36%	0.46	PF01636	-	0 - (0)	?	- / - / 5	0
106	E4NV09_HALBP	16	21%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
107	F5YRU0_MYCSD	22	49%	0.57	-	100.0	0 - (0)	?	- / 1 / 9	2
108	Q0FV55_PELBH	13	18%	0.33	PF01636	-	0 - (0)	?	- / - / 1	0
109	J0VYS4_RHILT	8	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
110	G8PNP4_PSEUV	17	23%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
111	S9SKL5_PAEAL	18	24%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
112	A4BF35_9GAMM	23	20%	0.33	PF01636	-	0 - (0)	?	- / - / 8	0
113	G0QCA2_NANSJ	18	18%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
114	D1YUH5_METPS	10	21%	0.28	PF01636	-	0 - (0)	?	- / - / 5	0
115	K4KMB0_SIMAS	14	20%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
116	A5ELQ6_BRASB	20	21%	0.27	PF01636	-	0 - (0)	?	- / - / 7	0
117	B4V000_9ACTN	16	19%	0.36	PF01636	-	0 - (0)	?	- / - / 1	0
118	D2PS12_KRIFD	20	21%	0.40	PF01636	-	0 - (0)	?	- / - / 3	0
119	Q0CEV4_ASPTN	12	17%	0.17	PF01636	-	0 - (0)	?	- / - / -	0
120	F6IEE3_9SPHN	16	25%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
121	R7ISX0_9CLOT	8	16%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
122	A8LMB5_DINSH	19	26%	0.33	PF01636	-	0 - (0)	?	- / - / 5	0
123	I9W4E7_9RALS	17	45%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
124	D9XR11_9ACTN	16	19%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
125	Q39FV6_BURL3	11	19%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
126	R7F7M2_9CLOT	18	18%	0.22	PF01636	-	0 - (0)	?	- / - / -	0
127	K2DXG3_9BACT	9	26%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
128	A3TLW1_9MICO	17	20%	0.44	PF01636	-	0 - (0)	?	- / - / 2	0
129	S2YRS5_9FIRM	17	18%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
130	R5KNI5_9CLOT	18	21%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
131	A4A2H0_9PLAN	20	18%	0.29	PF01636	-	0 - (0)	?	- / - / 3	0
132	O06916_LEGPN	20	100%	0.56	PF01636	88.6	0 - (0)	?	- / - / 3	3
133	G4H9V8_9BACL	18	21%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
134	E5X2I4_9BACE	16	24%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
135	R9IMS3_9FIRM	13	27%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
136	B8CXT6_HALOH	12	25%	0.40	PF01636	-	0 - (0)	?	- / - / 4	0
137	G8NX09_GRAMM	15	24%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
138	R8APF5_PLESH	19	18%	0.41	PF01636	-	0 - (0)	?	- / - / 1	0
139	G0SUF3_RHOT2	15	21%	0.21	PF01636	-	0 - (0)	?	- / - / -	0
140	D3QBL2_STANL	10	31%	0.23	PF01636	-	0 - (0)	?	- / - / 6	0
141	F9PRW1_9FIRM	16	22%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
142	A9AZC6_HERA2	16	27%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
143	F3P5Q3_9ACTO	20	19%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
144	F7K8U2_9FIRM	17	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
145	K4ZQI4_PAEA2	18	22%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
146	B5X3C6_SALSA	41	35%	0.20	PF00561	-	0 - (0)	?	- / - / 30	0
147	F3MF80_9BACL	14	18%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
148	G9EJ59_9GAMM	18	17%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
149	K2FEF9_9BACT	17	27%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
150	I0JPC5_HALH3	15	17%	0.37	PF01636	-	0 - (0)	?	- / - / -	0

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