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
J8LMR3_BACCE
17
18%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
151
Q5WC41_BACSK
17
24%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
152
A6G1I2_9DELT
18
24%
0.38
PF01636
-
0 -
(0)
?
- / - /
6
0
153
E1IB97_9CHLR
16
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
154
R6M6R3_9CLOT
18
20%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
155
K2DLA7_9BACT
12
21%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
156
I2JQ76_9GAMM
16
23%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
157
I0V2R5_9PSEU
4
32%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
158
A9KJ63_LACP7
16
24%
0.37
PF01636
-
0 -
(0)
?
- /
1
/
3
0
159
A3JM04_9RHOB
19
24%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
160
M1P5H5_9CORY
13
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
161
K2E0C8_9BACT
15
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
162
B4D7J5_9BACT
19
23%
0.37
PF01636
-
0 -
(0)
?
- /
1
/
7
0
163
E3B685_9MICO
13
31%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
164
I0JPC5_HALH3
15
17%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
165
H0AB80_HALSG
13
24%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
166
L8H2T2_ACACA
11
26%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
167
U2FGQ1_9BACT
14
25%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
168
D5ZQ68_STRVD
20
20%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
169
R8YWL0_ACIPI
17
24%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
170
R9IMS3_9FIRM
13
27%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
171
K6UBX0_9CLOT
16
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
172
H3SLV1_9BACL
10
28%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
173
U1LW46_9GAMM
16
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
174
C5AGS1_BURGB
18
17%
0.37
PF01636
-
0 -
(0)
?
- / - /
1
0
175
T0MPI0_9EURY
8
24%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
176
G4H9V8_9BACL
18
21%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
177
E3J6D5_FRAIE
14
23%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
178
R6SSW7_9CLOT
5
16%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
179
I0IBX3_PHYMF
13
27%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
180
Q2FNY6_METHJ
11
24%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
181
B4V000_9ACTN
16
19%
0.36
PF01636
-
0 -
(0)
?
- / - /
1
0
182
B7CE77_9FIRM
21
29%
0.36
PF01636
-
0 -
(0)
?
- /
3
/
6
0
183
H3SFX7_9BACL
16
20%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
184
K2BCP9_9BACT
16
19%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
185
V5HZI6_BYSSN
5
15%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
186
G9EJ59_9GAMM
18
17%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
187
J3AMA9_9SPHN
16
25%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
188
B2UM73_AKKM8
13
23%
0.35
PF01636
-
0 -
(0)
?
- / - /
3
0
189
R5KNI5_9CLOT
18
21%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
190
Q01SN1_SOLUE
20
22%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
191
F2SXI8_TRIRC
10
27%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
192
D2PYS6_KRIFD
21
20%
0.35
PF01636
-
0 -
(0)
?
- / - /
4
0
193
K0HVN5_9BURK
16
27%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
194
E8PLS8_THESS
16
23%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
195
U2FMB4_9BURK
18
19%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
196
Q05TY0_9SYNE
20
20%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
197
C1B3I2_RHOOB
17
22%
0.35
PF01636
-
0 -
(0)
?
- / - /
5
0
198
R5XAQ8_9FIRM
18
21%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
199
Q4FPZ4_PSYA2
12
25%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
200
Q12K05_SHEDO
16
17%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
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