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]
1
O68183_ENTCA
92
100%
0.66
PF01636
79.1
0 -
(0)
?
- /
4
/
84
8
2
Q93ET9_ECOLX
72
99%
0.53
PF01636
81.4
0 -
(0)
?
- /
6
/
64
5
3
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
4
A6FXA8_9DELT
59
41%
0.28
PF00202
85.9
0 -
(0)
?
- / - /
45
11
5
B5X3C6_SALSA
41
35%
0.20
PF00561
-
0 -
(0)
?
- / - /
30
0
6
K6XNV5_9ALTE
36
41%
0.28
PF00202
96.3
0 -
(0)
?
- / - /
21
3
7
Q091V1_STIAD
35
31%
0.13
PF05191
100.0
0 -
(0)
?
9
/
10
/
7
1
8
M8A5X5_TRIUA
35
32%
0.39
-
-
0 -
(0)
?
- /
8
/
13
0
9
A6CIE6_9BACI
29
31%
0.48
PF01636
-
0 -
(0)
?
- / - /
10
0
10
A0BI55_PARTE
28
38%
0.22
PF02771
87.2
0 -
(0)
?
5
/
8
/
3
2
11
A4BF35_9GAMM
23
20%
0.33
PF01636
-
0 -
(0)
?
- / - /
8
0
12
A8LBX6_FRASN
23
36%
0.29
PF02771
-
0 -
(0)
?
1
/
6
/ -
0
13
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
14
B4WZ99_9GAMM
21
52%
0.57
PF01636
-
0 -
(0)
?
- / - /
5
0
15
E0RY10_BUTPB
21
42%
0.62
PF01636
100.0
0 -
(0)
?
- / - /
1
1
16
D2PYS6_KRIFD
21
20%
0.35
PF01636
-
0 -
(0)
?
- / - /
4
0
17
A4BIV1_9GAMM
21
36%
0.51
PF01636
-
0 -
(0)
?
- / - /
5
0
18
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
19
A9GR62_SORC5
21
31%
0.41
PF01636
-
0 -
(0)
?
- / - /
4
0
20
C7NMJ1_HALUD
21
18%
0.29
PF01636
-
0 -
(0)
?
- / - /
2
0
21
B7CE77_9FIRM
21
29%
0.36
PF01636
-
0 -
(0)
?
- /
3
/
6
0
22
A9GMF3_SORC5
21
19%
0.23
PF01636
-
0 -
(0)
?
- / - /
3
0
23
A3TRE0_9MICO
20
21%
0.33
PF01636
-
0 -
(0)
?
- / - /
4
0
24
F7Q224_9BACT
20
24%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
25
A9NGK0_ACHLI
20
30%
0.48
PF01636
-
0 -
(0)
?
- /
2
/
4
0
26
A4A2H0_9PLAN
20
18%
0.29
PF01636
-
0 -
(0)
?
- / - /
3
0
27
D2PS12_KRIFD
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
3
0
28
D5ZQ68_STRVD
20
20%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
29
Q05TY0_9SYNE
20
20%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
30
U2D0X0_9CLOT
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
31
N4WMQ4_9BACI
20
23%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
32
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
33
D3E974_GEOS4
20
18%
0.30
PF01636
-
0 -
(0)
?
- / - /
5
0
34
A4W9L8_ENT38
20
40%
0.57
PF01636
-
0 -
(0)
?
- / - /
3
0
35
A1T6B2_MYCVP
20
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
3
0
36
E8M2R7_9VIBR
20
19%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
37
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
38
N8ZRE3_9GAMM
20
35%
0.55
PF01636
94.4
0 -
(0)
?
- /
7
/
6
2
39
V4IJZ3_9ACTN
20
43%
0.23
-
68.4
0 -
(0)
?
- / - /
5
1
40
B6BH72_SULGG
20
23%
0.47
PF01636
-
0 -
(0)
?
- / - /
7
0
41
I2JNQ5_9GAMM
20
25%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
42
K9H3M2_9PROT
20
35%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
43
B9JPT8_AGRRK
20
22%
0.32
PF01636
-
0 -
(0)
?
- / - /
3
0
44
O06916_LEGPN
20
100%
0.56
PF01636
88.6
0 -
(0)
?
- / - /
3
3
45
R7XWV2_9ACTN
20
20%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
46
C6DKR9_PECCP
20
18%
0.44
PF01636
-
0 -
(0)
?
- /
1
/
1
0
47
Q01SN1_SOLUE
20
22%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
48
J9Z0Z8_9PROT
20
34%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
49
A5ELQ6_BRASB
20
21%
0.27
PF01636
-
0 -
(0)
?
- / - /
7
0
50
F3P5Q3_9ACTO
20
19%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
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