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
D9XR11_9ACTN
16
19%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
101
E0PSQ6_STRMT
10
28%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
102
E0RY10_BUTPB
21
42%
0.62
PF01636
100.0
0 -
(0)
?
- / - /
1
1
103
E1F4A0_GIAIA
18
20%
0.31
PF01636
-
0 -
(0)
?
- / - / -
0
104
E1IB97_9CHLR
16
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
105
E3B685_9MICO
13
31%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
106
E3B9U0_9MICO
11
20%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
107
E3H6T6_ILYPC
10
25%
0.53
PF01636
-
0 -
(0)
?
- / - / -
0
108
E3J6D5_FRAIE
14
23%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
109
E4NV09_HALBP
16
21%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
110
E5X2I4_9BACE
16
24%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
111
E5XP41_9ACTN
14
16%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
112
E6S7B1_INTC7
17
32%
0.42
PF01636
-
0 -
(0)
?
- / - /
1
0
113
E6WJV5_PANSA
15
18%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
114
E6WJV6_PANSA
18
26%
0.50
-
-
0 -
(0)
?
- / - /
1
0
115
E8M2R7_9VIBR
20
19%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
116
E8MZX5_ANATU
14
23%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
117
E8PLS8_THESS
16
23%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
118
E8U5C6_DEIML
19
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
119
E8U5N2_DEIML
17
30%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
120
E9EG94_METAQ
12
20%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
121
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
122
E9UVR9_9ACTN
14
18%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
123
F0Y3S2_AURAN
18
18%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
124
F2K2W1_MARM1
17
38%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
125
F2K4Y6_MARM1
17
22%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
126
F2SXI8_TRIRC
10
27%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
127
F3MF80_9BACL
14
18%
0.23
PF01636
-
0 -
(0)
?
- / - / -
0
128
F3P5Q3_9ACTO
20
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
129
F3YTR5_DESAF
18
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
130
F5J3B0_9BACT
5
24%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
131
F5XPS0_MICPN
13
19%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
132
F5XQE5_MICPN
13
19%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
133
F5Y3R6_RAMTT
12
25%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
134
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
135
F6IEE3_9SPHN
16
25%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
136
F7K8U2_9FIRM
17
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
137
F7PTL5_9BACT
11
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
138
F7Q224_9BACT
20
24%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
139
F8FI03_PAEMK
15
25%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
140
F8JLQ4_STREN
13
31%
0.34
PF03109
-
0 -
(0)
?
- / - / -
0
141
F8KWK6_PARAV
15
22%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
142
F8L749_SIMNZ
18
20%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
143
F9F9J8_FUSOF
7
22%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
144
F9PRW1_9FIRM
16
22%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
145
G0QCA2_NANSJ
18
18%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
146
G0QH99_NANS0
16
25%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
147
G0SH97_CHATD
12
20%
0.21
PF01636
-
0 -
(0)
?
- / - / -
0
148
G0SUF3_RHOT2
15
21%
0.21
PF01636
-
0 -
(0)
?
- / - / -
0
149
G0T0J5_RHOT2
11
21%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
150
G2GKJ7_9ACTN
12
30%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
/ 8
>>
- Show
50
100
250
500
All