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
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
2
Q091V1_STIAD
35
31%
0.13
PF05191
100.0
0 -
(0)
?
9
/
10
/
7
1
3
A0BI55_PARTE
28
38%
0.22
PF02771
87.2
0 -
(0)
?
5
/
8
/
3
2
4
A8LBX6_FRASN
23
36%
0.29
PF02771
-
0 -
(0)
?
1
/
6
/ -
0
5
M8A5X5_TRIUA
35
32%
0.39
-
-
0 -
(0)
?
- /
8
/
13
0
6
N8ZRE3_9GAMM
20
35%
0.55
PF01636
94.4
0 -
(0)
?
- /
7
/
6
2
7
Q93ET9_ECOLX
72
99%
0.53
PF01636
81.4
0 -
(0)
?
- /
6
/
64
5
8
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
9
P96762_ENTGA
19
100%
0.56
PF01636
92.6
0 -
(0)
?
- /
5
/
5
3
10
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
11
C9Z3E0_STRSW
18
23%
0.34
PF01202
-
0 -
(0)
?
- /
5
/ -
0
12
O68183_ENTCA
92
100%
0.66
PF01636
79.1
0 -
(0)
?
- /
4
/
84
8
13
S7V9G1_9BACT
20
31%
0.40
PF01636
80.7
0 -
(0)
?
- /
4
/
6
6
14
D5HFE1_9FIRM
15
25%
0.39
PF01636
-
0 -
(0)
?
- /
4
/
2
0
15
B7CE77_9FIRM
21
29%
0.36
PF01636
-
0 -
(0)
?
- /
3
/
6
0
16
D4YZ71_SPHJU
18
31%
0.34
PF03109
93.4
0 -
(0)
?
- /
2
/
8
2
17
D3Q5J5_STANL
17
28%
0.43
PF01636
-
0 -
(0)
?
- /
2
/
7
0
18
A9NGK0_ACHLI
20
30%
0.48
PF01636
-
0 -
(0)
?
- /
2
/
4
0
19
A6FEQ4_9GAMM
19
20%
0.42
PF01636
-
0 -
(0)
?
- /
2
/
3
0
20
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
21
B4D7J5_9BACT
19
23%
0.37
PF01636
-
0 -
(0)
?
- /
1
/
7
0
22
A0AWX6_ARTS2
10
20%
0.34
PF01636
-
0 -
(0)
?
- /
1
/
7
0
23
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
24
D4MJE0_9FIRM
17
19%
0.40
PF01636
-
0 -
(0)
?
- /
1
/
4
0
25
A9KJ63_LACP7
16
24%
0.37
PF01636
-
0 -
(0)
?
- /
1
/
3
0
26
C5CJ43_KOSOT
14
16%
0.33
PF01636
-
0 -
(0)
?
- /
1
/
2
0
27
D2PKQ6_KRIFD
15
19%
0.39
PF01636
-
0 -
(0)
?
- /
1
/
1
0
28
D6TPR2_9CHLR
17
25%
0.30
PF01636
-
0 -
(0)
?
- /
1
/
1
0
29
C6DKR9_PECCP
20
18%
0.44
PF01636
-
0 -
(0)
?
- /
1
/
1
0
30
K2FC20_9BACT
19
29%
0.47
PF01636
-
0 -
(0)
?
- /
1
/ -
0
31
A6FXA8_9DELT
59
41%
0.28
PF00202
85.9
0 -
(0)
?
- / - /
45
11
32
B5X3C6_SALSA
41
35%
0.20
PF00561
-
0 -
(0)
?
- / - /
30
0
33
K6XNV5_9ALTE
36
41%
0.28
PF00202
96.3
0 -
(0)
?
- / - /
21
3
34
KHYB_ECOLX
19
100%
0.51
PF01636
-
0 -
(0)
?
- / - /
12
0
35
D2Q2Q9_KRIFD
14
23%
0.51
PF01636
-
0 -
(0)
?
- / - /
10
0
36
A6CIE6_9BACI
29
31%
0.48
PF01636
-
0 -
(0)
?
- / - /
10
0
37
A4BF35_9GAMM
23
20%
0.33
PF01636
-
0 -
(0)
?
- / - /
8
0
38
D4DJP3_TRIVH
11
23%
0.20
PF01636
-
0 -
(0)
?
- / - /
7
0
39
B6BH72_SULGG
20
23%
0.47
PF01636
-
0 -
(0)
?
- / - /
7
0
40
A9FES3_SORC5
18
23%
0.45
PF01636
-
0 -
(0)
?
- / - /
7
0
41
A5ELQ6_BRASB
20
21%
0.27
PF01636
-
0 -
(0)
?
- / - /
7
0
42
D3QBL2_STANL
10
31%
0.23
PF01636
-
0 -
(0)
?
- / - /
6
0
43
D6TP58_9CHLR
16
24%
0.39
PF01636
-
0 -
(0)
?
- / - /
6
0
44
A6G1I2_9DELT
18
24%
0.38
PF01636
-
0 -
(0)
?
- / - /
6
0
45
B6QWE1_TALMQ
16
20%
0.25
PF01636
-
0 -
(0)
?
- / - /
6
0
46
A8LMB5_DINSH
19
26%
0.33
PF01636
-
0 -
(0)
?
- / - /
5
0
47
A3JGG7_9ALTE
12
26%
0.29
PF01636
-
0 -
(0)
?
- / - /
5
0
48
B7JCH6_ECOLX
18
36%
0.46
PF01636
-
0 -
(0)
?
- / - /
5
0
49
V4IJZ3_9ACTN
20
43%
0.23
-
68.4
0 -
(0)
?
- / - /
5
1
50
C1B3I2_RHOOB
17
22%
0.35
PF01636
-
0 -
(0)
?
- / - /
5
0
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