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	A0AWX6_ARTS2	10	20%	0.34	PF01636	-	0 - (0)	?	- / 1 / 7	0
2	A0BI55_PARTE	28	38%	0.22	PF02771	87.2	0 - (0)	?	5 / 8 / 3	2
3	A1T6B2_MYCVP	20	21%	0.39	PF01636	-	0 - (0)	?	- / - / 3	0
4	A3DED6_CLOTH	17	27%	0.54	PF01636	-	0 - (0)	?	- / - / 5	0
5	A3JGG7_9ALTE	12	26%	0.29	PF01636	-	0 - (0)	?	- / - / 5	0
6	A3JM04_9RHOB	19	24%	0.37	PF01636	-	0 - (0)	?	- / - / 3	0
7	A3SHE0_ROSNI	19	18%	0.27	PF01636	-	0 - (0)	?	- / - / 2	0
8	A3TLW1_9MICO	17	20%	0.44	PF01636	-	0 - (0)	?	- / - / 2	0
9	A3TRE0_9MICO	20	21%	0.33	PF01636	-	0 - (0)	?	- / - / 4	0
10	A4A2H0_9PLAN	20	18%	0.29	PF01636	-	0 - (0)	?	- / - / 3	0
11	A4BF35_9GAMM	23	20%	0.33	PF01636	-	0 - (0)	?	- / - / 8	0
12	A4BIV1_9GAMM	21	36%	0.51	PF01636	-	0 - (0)	?	- / - / 5	0
13	A4W9L8_ENT38	20	40%	0.57	PF01636	-	0 - (0)	?	- / - / 3	0
14	A4ZPY7_CHRVL	19	26%	0.47	PF01636	-	0 - (0)	?	- / - / 3	0
15	A5ELQ6_BRASB	20	21%	0.27	PF01636	-	0 - (0)	?	- / - / 7	0
16	A5EN54_BRASB	15	18%	0.27	PF01636	-	0 - (0)	?	- / - / -	0
17	A6CIE6_9BACI	29	31%	0.48	PF01636	-	0 - (0)	?	- / - / 10	0
18	A6FEQ4_9GAMM	19	20%	0.42	PF01636	-	0 - (0)	?	- / 2 / 3	0
19	A6FXA8_9DELT	59	41%	0.28	PF00202	85.9	0 - (0)	?	- / - / 45	11
20	A6FXB4_9DELT	18	21%	0.39	PF01636	-	0 - (0)	?	- / - / 1	0
21	A6G1I2_9DELT	18	24%	0.38	PF01636	-	0 - (0)	?	- / - / 6	0
22	A8LBX6_FRASN	23	36%	0.29	PF02771	-	0 - (0)	?	1 / 6 / -	0
23	A8LMB5_DINSH	19	26%	0.33	PF01636	-	0 - (0)	?	- / - / 5	0
24	A8M7E1_SALAI	17	19%	0.34	PF01636	-	0 - (0)	?	- / - / 1	0
25	A9AZC6_HERA2	16	27%	0.32	PF01636	-	0 - (0)	?	- / - / 1	0
26	A9CJC3_AGRFC	15	17%	0.28	PF01636	-	0 - (0)	?	- / - / 1	0
27	A9FES3_SORC5	18	23%	0.45	PF01636	-	0 - (0)	?	- / - / 7	0
28	A9GMF3_SORC5	21	19%	0.23	PF01636	-	0 - (0)	?	- / - / 3	0
29	A9GR62_SORC5	21	31%	0.41	PF01636	-	0 - (0)	?	- / - / 4	0
30	A9KJ63_LACP7	16	24%	0.37	PF01636	-	0 - (0)	?	- / 1 / 3	0
31	A9KMG0_LACP7	16	22%	0.44	PF01636	-	0 - (0)	?	- / - / 2	0
32	A9NGK0_ACHLI	20	30%	0.48	PF01636	-	0 - (0)	?	- / 2 / 4	0
33	B0D1J7_LACBS	16	17%	0.24	PF01636	-	0 - (0)	?	- / - / 4	0
34	B2TNJ0_CLOBB	11	24%	0.48	PF01636	-	0 - (0)	?	- / - / 5	0
35	B2UM73_AKKM8	13	23%	0.35	PF01636	-	0 - (0)	?	- / - / 3	0
36	B2W7V1_PYRTR	16	26%	0.31	PF01636	-	0 - (0)	?	- / - / 5	0
37	B4D7J5_9BACT	19	23%	0.37	PF01636	-	0 - (0)	?	- / 1 / 7	0
38	B4D9C8_9BACT	17	22%	0.26	PF01636	-	0 - (0)	?	- / - / 5	0
39	B4V000_9ACTN	16	19%	0.36	PF01636	-	0 - (0)	?	- / - / 1	0
40	B4WZ99_9GAMM	21	52%	0.57	PF01636	-	0 - (0)	?	- / - / 5	0
41	B5HLT6_9ACTN	12	17%	0.17	PF01636	-	0 - (0)	?	- / - / 2	0
42	B5X3C6_SALSA	41	35%	0.20	PF00561	-	0 - (0)	?	- / - / 30	0
43	B6BH72_SULGG	20	23%	0.47	PF01636	-	0 - (0)	?	- / - / 7	0
44	B6QWE1_TALMQ	16	20%	0.25	PF01636	-	0 - (0)	?	- / - / 6	0
45	B7CE77_9FIRM	21	29%	0.36	PF01636	-	0 - (0)	?	- / 3 / 6	0
46	B7DRV0_9BACL	19	21%	0.28	PF01636	-	0 - (0)	?	- / - / 2	0
47	B7JCH6_ECOLX	18	36%	0.46	PF01636	-	0 - (0)	?	- / - / 5	0
48	B8CXT6_HALOH	12	25%	0.40	PF01636	-	0 - (0)	?	- / - / 4	0
49	B9JPT8_AGRRK	20	22%	0.32	PF01636	-	0 - (0)	?	- / - / 3	0
50	C1B3I2_RHOOB	17	22%	0.35	PF01636	-	0 - (0)	?	- / - / 5	0

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