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]
150
A6FXB4_9DELT
18
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
1
0
151
K2FWB2_9BACT
17
20%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
152
Q48AV8_COLP3
18
18%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
153
R6M6R3_9CLOT
18
20%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
154
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
155
U7UQX0_9BACT
12
19%
0.25
PF01636
-
0 -
(0)
?
- / - / -
0
156
I8QJM8_9ACTN
13
18%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
157
M1P5H5_9CORY
13
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
158
E9EG94_METAQ
12
20%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
159
I2JQ76_9GAMM
16
23%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
160
K2BCP9_9BACT
16
19%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
161
K9EH06_9ACTO
10
22%
0.31
PF01636
-
0 -
(0)
?
- / - / -
0
162
Q2FNY6_METHJ
11
24%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
163
S2YRS5_9FIRM
17
18%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
164
B4V000_9ACTN
16
19%
0.36
PF01636
-
0 -
(0)
?
- / - /
1
0
165
E5XP41_9ACTN
14
16%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
166
I3DZX0_BACMT
18
37%
0.50
PF01636
-
0 -
(0)
?
- / - /
2
0
167
K2FC20_9BACT
19
29%
0.47
PF01636
-
0 -
(0)
?
- /
1
/ -
0
168
R4YP55_OLEAN
15
24%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
169
R5XAQ8_9FIRM
18
21%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
170
A3TLW1_9MICO
17
20%
0.44
PF01636
-
0 -
(0)
?
- / - /
2
0
171
F3P5Q3_9ACTO
20
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
172
N9AF92_9GAMM
19
39%
0.46
PF01636
100.0
0 -
(0)
?
- / - /
2
1
173
Q0CEV4_ASPTN
12
17%
0.17
PF01636
-
0 -
(0)
?
- / - / -
0
174
A3JM04_9RHOB
19
24%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
175
D1YWE3_METPS
18
22%
0.29
PF01636
-
0 -
(0)
?
- / - /
4
0
176
D4DJP3_TRIVH
11
23%
0.20
PF01636
-
0 -
(0)
?
- / - /
7
0
177
A9FES3_SORC5
18
23%
0.45
PF01636
-
0 -
(0)
?
- / - /
7
0
178
D3Q5J5_STANL
17
28%
0.43
PF01636
-
0 -
(0)
?
- /
2
/
7
0
179
V5HZI6_BYSSN
5
15%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
180
K2DLA7_9BACT
12
21%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
181
R5PN27_9CLOT
10
21%
0.23
PF01636
-
0 -
(0)
?
- / - / -
0
182
G4D212_9FIRM
11
21%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
183
J3HX86_9BRAD
15
18%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
184
D7WCG9_9CORY
10
15%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
185
G4EMA1_MYCIO
10
20%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
186
J2XSJ3_9PSED
17
50%
0.54
PF01636
100.0
0 -
(0)
?
- / - /
4
1
187
L9VGP7_9EURY
14
23%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
188
U2B4H7_9CLOT
11
18%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
189
I1AZM6_9RHOB
16
21%
0.31
PF01636
-
0 -
(0)
?
- / - / -
0
190
I8R023_9ACTN
17
21%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
191
K1ZM94_9BACT
18
22%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
192
R5ZCM8_9CLOT
15
19%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
193
R7F7M2_9CLOT
18
18%
0.22
PF01636
-
0 -
(0)
?
- / - / -
0
194
R9IMS3_9FIRM
13
27%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
195
U1LIR1_9BACL
11
28%
0.22
PF01636
-
0 -
(0)
?
- / - / -
0
196
C8PZG6_9PROT
14
27%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
197
E1IB97_9CHLR
16
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
198
E3J6D5_FRAIE
14
23%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
199
G8SGH3_ACTS5
13
26%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
200
I0I791_CALAS
18
21%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
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