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]
1	U7UQX0_9BACT	12	19%	0.25	PF01636	-	0 - (0)	?	- / - / -	0
2	B2TNJ0_CLOBB	11	24%	0.48	PF01636	-	0 - (0)	?	- / - / 5	0
3	D3E974_GEOS4	20	18%	0.30	PF01636	-	0 - (0)	?	- / - / 5	0
4	N1RIR1_FUSC4	15	18%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
5	S0J7P8_9ENTE	15	19%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
6	L0ISJ1_9MYCO	18	27%	0.43	PF01636	-	0 - (0)	?	- / - / -	0
7	M0CX78_9EURY	15	37%	0.12	-	-	0 - (0)	?	- / - / -	0
8	Q4FPZ4_PSYA2	12	25%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
9	I0X7Z1_9SPIO	16	18%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
10	A9KJ63_LACP7	16	24%	0.37	PF01636	-	0 - (0)	?	- / 1 / 3	0
11	E5XP41_9ACTN	14	16%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
12	F7K8U2_9FIRM	17	23%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
13	K9EH06_9ACTO	10	22%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
14	Q1N6U9_9GAMM	12	24%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
15	R7F7M2_9CLOT	18	18%	0.22	PF01636	-	0 - (0)	?	- / - / -	0
16	Q70KE3_MICEC	18	35%	0.39	PF01636	100.0	0 - (0)	?	- / - / 1	1
17	I9W4E7_9RALS	17	45%	0.51	PF01636	-	0 - (0)	?	- / - / -	0
18	S2VMB9_9ACTO	9	19%	0.34	PF01636	-	0 - (0)	?	- / - / -	0
19	F8JLQ4_STREN	13	31%	0.34	PF03109	-	0 - (0)	?	- / - / -	0
20	K7QWY9_THEOS	19	25%	0.46	PF01636	-	0 - (0)	?	- / - / -	0
21	D3Q5J5_STANL	17	28%	0.43	PF01636	-	0 - (0)	?	- / 2 / 7	0
22	F8L749_SIMNZ	18	20%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
23	J0UKV3_ALCFA	11	32%	0.40	PF01636	-	0 - (0)	?	- / - / -	0
24	F6IEE3_9SPHN	16	25%	0.30	PF01636	-	0 - (0)	?	- / - / -	0
25	D8SXP9_SELML	20	33%	0.48	-	-	0 - (0)	?	- / 5 / 6	0
26	R5SY67_9CLOT	14	24%	0.45	PF01636	-	0 - (0)	?	- / - / -	0
27	U2FGQ1_9BACT	14	25%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
28	G0SH97_CHATD	12	20%	0.21	PF01636	-	0 - (0)	?	- / - / -	0
29	M0L4J9_9EURY	16	20%	0.31	PF01636	-	0 - (0)	?	- / - / -	0
30	A3JM04_9RHOB	19	24%	0.37	PF01636	-	0 - (0)	?	- / - / 3	0
31	A5ELQ6_BRASB	20	21%	0.27	PF01636	-	0 - (0)	?	- / - / 7	0
32	E5X2I4_9BACE	16	24%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
33	A4ZPY7_CHRVL	19	26%	0.47	PF01636	-	0 - (0)	?	- / - / 3	0
34	E3B9U0_9MICO	11	20%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
35	U2E739_9BACT	18	20%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
36	A1T6B2_MYCVP	20	21%	0.39	PF01636	-	0 - (0)	?	- / - / 3	0
37	K4ZQI4_PAEA2	18	22%	0.39	PF01636	-	0 - (0)	?	- / - / -	0
38	B4D7J5_9BACT	19	23%	0.37	PF01636	-	0 - (0)	?	- / 1 / 7	0
39	R8YWL0_ACIPI	17	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
40	K2FEF9_9BACT	17	27%	0.52	PF01636	-	0 - (0)	?	- / - / -	0
41	U1Y159_9ACTN	15	18%	0.28	PF01636	-	0 - (0)	?	- / - / -	0
42	F5XQE5_MICPN	13	19%	0.41	PF01636	-	0 - (0)	?	- / - / -	0
43	F2SXI8_TRIRC	10	27%	0.35	PF01636	-	0 - (0)	?	- / - / -	0
44	H0AB80_HALSG	13	24%	0.37	PF01636	-	0 - (0)	?	- / - / -	0
45	D4L2V5_9FIRM	12	23%	0.44	PF01636	-	0 - (0)	?	- / - / -	0
46	N9AF92_9GAMM	19	39%	0.46	PF01636	100.0	0 - (0)	?	- / - / 2	1
47	G0QH99_NANS0	16	25%	0.24	PF01636	-	0 - (0)	?	- / - / -	0
48	R7Y0S1_9ACTN	16	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
49	M3VFL7_9ACTN	17	26%	0.33	PF01636	-	0 - (0)	?	- / - / -	0
50	A4A2H0_9PLAN	20	18%	0.29	PF01636	-	0 - (0)	?	- / - / 3	0

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