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	F8JLQ4_STREN	13	31%	0.34	PF03109	-	0 - (0)	?	- / - / -	0
51	S7V9G1_9BACT	20	31%	0.40	PF01636	80.7	0 - (0)	?	- / 4 / 6	6
52	E3B685_9MICO	13	31%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
53	D4YZ71_SPHJU	18	31%	0.34	PF03109	93.4	0 - (0)	?	- / 2 / 8	2
54	D3QBL2_STANL	10	31%	0.23	PF01636	-	0 - (0)	?	- / - / 6	0
55	U1PU59_9EURY	17	30%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
56	A9NGK0_ACHLI	20	30%	0.48	PF01636	-	0 - (0)	?	- / 2 / 4	0
57	Q08P17_STIAD	19	30%	0.48	PF01636	-	0 - (0)	?	- / - / -	0
58	R7N9Q7_9FIRM	15	30%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
59	E8U5N2_DEIML	17	30%	0.49	PF01636	-	0 - (0)	?	- / - / -	0
60	G2GKJ7_9ACTN	12	30%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
61	K2FC20_9BACT	19	29%	0.47	PF01636	-	0 - (0)	?	- / 1 / -	0
62	D8PII8_9BACT	14	29%	0.41	PF01636	-	0 - (0)	?	- / - / 2	0
63	B7CE77_9FIRM	21	29%	0.36	PF01636	-	0 - (0)	?	- / 3 / 6	0
64	T0MA07_9EURY	14	29%	0.53	PF01636	-	0 - (0)	?	- / - / -	0
65	H3SLV1_9BACL	10	28%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
66	D3Q5J5_STANL	17	28%	0.43	PF01636	-	0 - (0)	?	- / 2 / 7	0
67	H0B5N4_9ACTN	12	28%	0.23	PF01636	-	0 - (0)	?	- / - / -	0
68	H3NSZ8_9GAMM	17	28%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
69	N0E4S8_9MICO	11	28%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
70	U1LIR1_9BACL	11	28%	0.22	PF01636	-	0 - (0)	?	- / - / -	0
71	E0PSQ6_STRMT	10	28%	0.56	PF01636	-	0 - (0)	?	- / - / -	0
72	A9AZC6_HERA2	16	27%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
73	C8PZG6_9PROT	14	27%	0.42	PF01636	-	0 - (0)	?	- / - / 2	0
74	L0ISJ1_9MYCO	18	27%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
75	G4HT33_MYCRH	18	27%	0.47	PF01636	-	0 - (0)	?	- / - / -	0
76	H3SQ70_9BACL	15	27%	0.46	PF01636	-	0 - (0)	?	- / - / -	0
77	D2NS48_ROTMD	10	27%	0.30	PF01636	-	0 - (0)	?	- / - / 1	0
78	D6Y3V0_THEBD	18	27%	0.56	PF01636	-	0 - (0)	?	- / - / -	0
79	K0HVN5_9BURK	16	27%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
80	U7GLX2_9RHOB	18	27%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
81	K2FEF9_9BACT	17	27%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
82	I0IBX3_PHYMF	13	27%	0.36	PF01636	-	0 - (0)	?	- / - / -	0
83	D2Q2U7_KRIFD	17	27%	0.32	PF01636	-	0 - (0)	?	- / - / 2	0
84	U2D2P5_9FIRM	17	27%	0.48	PF01636	-	0 - (0)	?	- / - / -	0
85	A3DED6_CLOTH	17	27%	0.54	PF01636	-	0 - (0)	?	- / - / 5	0
86	F2SXI8_TRIRC	10	27%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
87	R9IMS3_9FIRM	13	27%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
88	R6QK77_9CLOT	4	26%	0.29	PF01636	-	0 - (0)	?	- / - / -	0
89	E6WJV6_PANSA	18	26%	0.50	-	-	0 - (0)	?	- / - / 1	0
90	M3VFL7_9ACTN	17	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
91	R7Y0S1_9ACTN	16	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
92	Q0STX8_CLOPS	16	26%	0.40	-	-	0 - (0)	?	- / - / 1	0
93	D6U7Z0_9CHLR	17	26%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
94	G8SGH3_ACTS5	13	26%	0.42	PF01636	-	0 - (0)	?	- / - / -	0
95	A4ZPY7_CHRVL	19	26%	0.47	PF01636	-	0 - (0)	?	- / - / 3	0
96	K2DXG3_9BACT	9	26%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
97	A8LMB5_DINSH	19	26%	0.33	PF01636	-	0 - (0)	?	- / - / 5	0
98	A3JGG7_9ALTE	12	26%	0.29	PF01636	-	0 - (0)	?	- / - / 5	0
99	J0VAV1_RHIL1	12	26%	0.38	PF01636	-	0 - (0)	?	- / - / -	0
100	L8H2T2_ACACA	11	26%	0.37	PF01636	-	0 - (0)	?	- / - / -	0

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