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
E0RY10_BUTPB
21
42%
0.62
PF01636
100.0
0 -
(0)
?
- / - /
1
1
3
B4WZ99_9GAMM
21
52%
0.57
PF01636
-
0 -
(0)
?
- / - /
5
0
4
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
5
A4W9L8_ENT38
20
40%
0.57
PF01636
-
0 -
(0)
?
- / - /
3
0
6
O06916_LEGPN
20
100%
0.56
PF01636
88.6
0 -
(0)
?
- / - /
3
3
7
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
8
M2YHJ7_PSEFD
18
36%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
9
E0PSQ6_STRMT
10
28%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
10
D6Y3V0_THEBD
18
27%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
11
P96762_ENTGA
19
100%
0.56
PF01636
92.6
0 -
(0)
?
- /
5
/
5
3
12
N8ZRE3_9GAMM
20
35%
0.55
PF01636
94.4
0 -
(0)
?
- /
7
/
6
2
13
J2XSJ3_9PSED
17
50%
0.54
PF01636
100.0
0 -
(0)
?
- / - /
4
1
14
A3DED6_CLOTH
17
27%
0.54
PF01636
-
0 -
(0)
?
- / - /
5
0
15
E3H6T6_ILYPC
10
25%
0.53
PF01636
-
0 -
(0)
?
- / - / -
0
16
Q93ET9_ECOLX
72
99%
0.53
PF01636
81.4
0 -
(0)
?
- /
6
/
64
5
17
D5Q4H0_CLODI
6
25%
0.53
PF01636
-
0 -
(0)
?
- / - /
5
0
18
T0MA07_9EURY
14
29%
0.53
PF01636
-
0 -
(0)
?
- / - / -
0
19
F5J3B0_9BACT
5
24%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
20
K2FEF9_9BACT
17
27%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
21
J2SQH9_9PSED
18
32%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
22
T5L6G6_9MICO
18
36%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
23
S7Q6Y1_GLOTA
19
34%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
24
A4BIV1_9GAMM
21
36%
0.51
PF01636
-
0 -
(0)
?
- / - /
5
0
25
I9W4E7_9RALS
17
45%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
26
R7N9Q7_9FIRM
15
30%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
27
I0F473_9BACI
15
25%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
28
KHYB_ECOLX
19
100%
0.51
PF01636
-
0 -
(0)
?
- / - /
12
0
29
D2Q2Q9_KRIFD
14
23%
0.51
PF01636
-
0 -
(0)
?
- / - /
10
0
30
K9H3M2_9PROT
20
35%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
31
J9Z0Z8_9PROT
20
34%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
32
E6WJV6_PANSA
18
26%
0.50
-
-
0 -
(0)
?
- / - /
1
0
33
I3DZX0_BACMT
18
37%
0.50
PF01636
-
0 -
(0)
?
- / - /
2
0
34
L1QEA3_9CLOT
16
24%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
35
N9W9J2_9SPHN
17
23%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
36
Q5QYF2_IDILO
15
21%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
37
G8PTR3_PSEUV
14
25%
0.49
-
-
0 -
(0)
?
- / - /
1
0
38
E8U5N2_DEIML
17
30%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
39
F2K2W1_MARM1
17
38%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
40
S2YZI8_9CORY
17
38%
0.48
PF01636
61.5
0 -
(0)
?
- / - /
5
1
41
Q08P17_STIAD
19
30%
0.48
PF01636
-
0 -
(0)
?
- / - / -
0
42
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
43
U2D2P5_9FIRM
17
27%
0.48
PF01636
-
0 -
(0)
?
- / - / -
0
44
A6CIE6_9BACI
29
31%
0.48
PF01636
-
0 -
(0)
?
- / - /
10
0
45
A9NGK0_ACHLI
20
30%
0.48
PF01636
-
0 -
(0)
?
- /
2
/
4
0
46
B2TNJ0_CLOBB
11
24%
0.48
PF01636
-
0 -
(0)
?
- / - /
5
0
47
A4ZPY7_CHRVL
19
26%
0.47
PF01636
-
0 -
(0)
?
- / - /
3
0
48
M4U5D4_9GAMM
15
21%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
49
B6BH72_SULGG
20
23%
0.47
PF01636
-
0 -
(0)
?
- / - /
7
0
50
G4HT33_MYCRH
18
27%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
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