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]
50
A9GR62_SORC5
21
31%
0.41
PF01636
-
0 -
(0)
?
- / - /
4
0
51
A6CIE6_9BACI
29
31%
0.48
PF01636
-
0 -
(0)
?
- / - /
10
0
52
Q091V1_STIAD
35
31%
0.13
PF05191
100.0
0 -
(0)
?
9
/
10
/
7
1
53
F8JLQ4_STREN
13
31%
0.34
PF03109
-
0 -
(0)
?
- / - / -
0
54
D4YZ71_SPHJU
18
31%
0.34
PF03109
93.4
0 -
(0)
?
- /
2
/
8
2
55
E8U5N2_DEIML
17
30%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
56
G2GKJ7_9ACTN
12
30%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
57
R7N9Q7_9FIRM
15
30%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
58
A9NGK0_ACHLI
20
30%
0.48
PF01636
-
0 -
(0)
?
- /
2
/
4
0
59
Q08P17_STIAD
19
30%
0.48
PF01636
-
0 -
(0)
?
- / - / -
0
60
U1PU59_9EURY
17
30%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
61
T0MA07_9EURY
14
29%
0.53
PF01636
-
0 -
(0)
?
- / - / -
0
62
K2FC20_9BACT
19
29%
0.47
PF01636
-
0 -
(0)
?
- /
1
/ -
0
63
B7CE77_9FIRM
21
29%
0.36
PF01636
-
0 -
(0)
?
- /
3
/
6
0
64
D8PII8_9BACT
14
29%
0.41
PF01636
-
0 -
(0)
?
- / - /
2
0
65
U1LIR1_9BACL
11
28%
0.22
PF01636
-
0 -
(0)
?
- / - / -
0
66
H0B5N4_9ACTN
12
28%
0.23
PF01636
-
0 -
(0)
?
- / - / -
0
67
D3Q5J5_STANL
17
28%
0.43
PF01636
-
0 -
(0)
?
- /
2
/
7
0
68
N0E4S8_9MICO
11
28%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
69
H3NSZ8_9GAMM
17
28%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
70
E0PSQ6_STRMT
10
28%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
71
H3SLV1_9BACL
10
28%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
72
R9IMS3_9FIRM
13
27%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
73
I0IBX3_PHYMF
13
27%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
74
D2NS48_ROTMD
10
27%
0.30
PF01636
-
0 -
(0)
?
- / - /
1
0
75
H3SQ70_9BACL
15
27%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
76
D2Q2U7_KRIFD
17
27%
0.32
PF01636
-
0 -
(0)
?
- / - /
2
0
77
F2SXI8_TRIRC
10
27%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
78
C8PZG6_9PROT
14
27%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
79
U7GLX2_9RHOB
18
27%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
80
A3DED6_CLOTH
17
27%
0.54
PF01636
-
0 -
(0)
?
- / - /
5
0
81
K2FEF9_9BACT
17
27%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
82
D6Y3V0_THEBD
18
27%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
83
K0HVN5_9BURK
16
27%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
84
A9AZC6_HERA2
16
27%
0.32
PF01636
-
0 -
(0)
?
- / - /
1
0
85
U2D2P5_9FIRM
17
27%
0.48
PF01636
-
0 -
(0)
?
- / - / -
0
86
G4HT33_MYCRH
18
27%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
87
L0ISJ1_9MYCO
18
27%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
88
M0DK65_9EURY
18
26%
0.26
PF01636
-
0 -
(0)
?
- / - / -
0
89
M3VFL7_9ACTN
17
26%
0.33
PF01636
-
0 -
(0)
?
- / - / -
0
90
A8LMB5_DINSH
19
26%
0.33
PF01636
-
0 -
(0)
?
- / - /
5
0
91
R6QK77_9CLOT
4
26%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
92
C2YU92_BACCE
15
26%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
93
E6WJV6_PANSA
18
26%
0.50
-
-
0 -
(0)
?
- / - /
1
0
94
D6U7Z0_9CHLR
17
26%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
95
A4ZPY7_CHRVL
19
26%
0.47
PF01636
-
0 -
(0)
?
- / - /
3
0
96
K2DXG3_9BACT
9
26%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
97
Q53826_STRMP
3
26%
0.42
-
-
0 -
(0)
?
- / - / -
0
98
B2W7V1_PYRTR
16
26%
0.31
PF01636
-
0 -
(0)
?
- / - /
5
0
99
G8SGH3_ACTS5
13
26%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
100
L8H2T2_ACACA
11
26%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
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