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
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
101
S3INB4_BACCE
18
17%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
102
D6TTH6_9CHLR
19
24%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
103
F8L749_SIMNZ
18
20%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
104
D8PII8_9BACT
14
29%
0.41
PF01636
-
0 -
(0)
?
- / - /
2
0
105
R5ZCM8_9CLOT
15
19%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
106
J8JVE5_BACCE
17
23%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
107
U7GLX2_9RHOB
18
27%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
108
D9XR11_9ACTN
16
19%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
109
S7V9G1_9BACT
20
31%
0.40
PF01636
80.7
0 -
(0)
?
- /
4
/
6
6
110
J0VYS4_RHILT
8
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
111
I0X7Z1_9SPIO
16
18%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
112
K0F1R0_9NOCA
18
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
113
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
114
Q0STX8_CLOPS
16
26%
0.40
-
-
0 -
(0)
?
- / - /
1
0
115
B8CXT6_HALOH
12
25%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
116
D2PS12_KRIFD
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
3
0
117
F7K8U2_9FIRM
17
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
118
D4MJE0_9FIRM
17
19%
0.40
PF01636
-
0 -
(0)
?
- /
1
/
4
0
119
J0UKV3_ALCFA
11
32%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
120
F2K4Y6_MARM1
17
22%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
121
U2D0X0_9CLOT
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
122
E8U5C6_DEIML
19
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
123
C2YU92_BACCE
15
26%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
124
J7L431_NOCAA
11
19%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
125
Q6AJ11_DESPS
16
24%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
126
Q13I82_PARXL
18
24%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
127
R4YP55_OLEAN
15
24%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
128
C9RNP1_FIBSS
13
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
5
0
129
T0REI8_9PROT
15
24%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
130
M8A5X5_TRIUA
35
32%
0.39
-
-
0 -
(0)
?
- /
8
/
13
0
131
R0EPV0_CAUVI
19
24%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
132
A6FXB4_9DELT
18
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
1
0
133
K4ZQI4_PAEA2
18
22%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
134
G0QCA2_NANSJ
18
18%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
135
R6HFK3_9CLOT
15
22%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
136
R5KKB2_9CLOT
9
24%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
137
Q70KE3_MICEC
18
35%
0.39
PF01636
100.0
0 -
(0)
?
- / - /
1
1
138
K2DXG3_9BACT
9
26%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
139
D2PKQ6_KRIFD
15
19%
0.39
PF01636
-
0 -
(0)
?
- /
1
/
1
0
140
D6TP58_9CHLR
16
24%
0.39
PF01636
-
0 -
(0)
?
- / - /
6
0
141
D5HFE1_9FIRM
15
25%
0.39
PF01636
-
0 -
(0)
?
- /
4
/
2
0
142
A1T6B2_MYCVP
20
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
3
0
143
Q1N6U9_9GAMM
12
24%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
144
E3B9U0_9MICO
11
20%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
145
R6CVQ1_9CLOT
15
23%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
146
S2YRS5_9FIRM
17
18%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
147
J0VAV1_RHIL1
12
26%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
148
F3P5Q3_9ACTO
20
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
149
F9PRW1_9FIRM
16
22%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
150
J8LMR3_BACCE
17
18%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
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