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
O06916_LEGPN
20
100%
0.56
PF01636
88.6
0 -
(0)
?
- / - /
3
3
2
O68183_ENTCA
92
100%
0.66
PF01636
79.1
0 -
(0)
?
- /
4
/
84
8
3
KHYB_ECOLX
19
100%
0.51
PF01636
-
0 -
(0)
?
- / - /
12
0
4
P96762_ENTGA
19
100%
0.56
PF01636
92.6
0 -
(0)
?
- /
5
/
5
3
5
Q93ET9_ECOLX
72
99%
0.53
PF01636
81.4
0 -
(0)
?
- /
6
/
64
5
6
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
7
B4WZ99_9GAMM
21
52%
0.57
PF01636
-
0 -
(0)
?
- / - /
5
0
8
J2XSJ3_9PSED
17
50%
0.54
PF01636
100.0
0 -
(0)
?
- / - /
4
1
9
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
10
I9W4E7_9RALS
17
45%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
11
V4IJZ3_9ACTN
20
43%
0.23
-
68.4
0 -
(0)
?
- / - /
5
1
12
E0RY10_BUTPB
21
42%
0.62
PF01636
100.0
0 -
(0)
?
- / - /
1
1
13
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
14
A6FXA8_9DELT
59
41%
0.28
PF00202
85.9
0 -
(0)
?
- / - /
45
11
15
K6XNV5_9ALTE
36
41%
0.28
PF00202
96.3
0 -
(0)
?
- / - /
21
3
16
A4W9L8_ENT38
20
40%
0.57
PF01636
-
0 -
(0)
?
- / - /
3
0
17
N9AF92_9GAMM
19
39%
0.46
PF01636
100.0
0 -
(0)
?
- / - /
2
1
18
F2K2W1_MARM1
17
38%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
19
A0BI55_PARTE
28
38%
0.22
PF02771
87.2
0 -
(0)
?
5
/
8
/
3
2
20
KHSE_HERAR
14
38%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
21
S2YZI8_9CORY
17
38%
0.48
PF01636
61.5
0 -
(0)
?
- / - /
5
1
22
G2J9H1_9BURK
15
37%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
23
I3DZX0_BACMT
18
37%
0.50
PF01636
-
0 -
(0)
?
- / - /
2
0
24
M0CX78_9EURY
15
37%
0.12
-
-
0 -
(0)
?
- / - / -
0
25
M2YHJ7_PSEFD
18
36%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
26
A8LBX6_FRASN
23
36%
0.29
PF02771
-
0 -
(0)
?
1
/
6
/ -
0
27
A4BIV1_9GAMM
21
36%
0.51
PF01636
-
0 -
(0)
?
- / - /
5
0
28
B7JCH6_ECOLX
18
36%
0.46
PF01636
-
0 -
(0)
?
- / - /
5
0
29
T5L6G6_9MICO
18
36%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
30
Q70KE3_MICEC
18
35%
0.39
PF01636
100.0
0 -
(0)
?
- / - /
1
1
31
N8ZRE3_9GAMM
20
35%
0.55
PF01636
94.4
0 -
(0)
?
- /
7
/
6
2
32
B5X3C6_SALSA
41
35%
0.20
PF00561
-
0 -
(0)
?
- / - /
30
0
33
K9H3M2_9PROT
20
35%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
34
C5L1P2_PERM5
17
34%
0.15
PF01636
-
0 -
(0)
?
- / - /
5
0
35
J9Z0Z8_9PROT
20
34%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
36
S7Q6Y1_GLOTA
19
34%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
37
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
38
N0E433_9MICO
13
33%
0.46
-
-
0 -
(0)
?
- / - /
3
0
39
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
40
I0V2R5_9PSEU
4
32%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
41
E6S7B1_INTC7
17
32%
0.42
PF01636
-
0 -
(0)
?
- / - /
1
0
42
H5URQ5_9MICO
15
32%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
43
M8A5X5_TRIUA
35
32%
0.39
-
-
0 -
(0)
?
- /
8
/
13
0
44
J0UKV3_ALCFA
11
32%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
45
J2SQH9_9PSED
18
32%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
46
R6BBM7_9CLOT
17
32%
0.29
PF12848
-
0 -
(0)
?
- / - /
2
0
47
E3B685_9MICO
13
31%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
48
A9GR62_SORC5
21
31%
0.41
PF01636
-
0 -
(0)
?
- / - /
4
0
49
A6CIE6_9BACI
29
31%
0.48
PF01636
-
0 -
(0)
?
- / - /
10
0
50
F8JLQ4_STREN
13
31%
0.34
PF03109
-
0 -
(0)
?
- / - / -
0
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