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
D5ZQ68_STRVD
20
20%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
2
H3SLV1_9BACL
10
28%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
3
N1RIR1_FUSC4
15
18%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
4
K2FWB2_9BACT
17
20%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
5
R5ZCM8_9CLOT
15
19%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
6
K9DXJ0_9BURK
21
59%
0.56
PF01636
78.9
0 -
(0)
?
- /
1
/
4
2
7
E6WJV5_PANSA
15
18%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
8
G9BAQ3_9ARCH
14
24%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
9
K2FEF9_9BACT
17
27%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
10
D9UXT4_9ACTN
16
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
11
L1QEA3_9CLOT
16
24%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
12
M2YHJ7_PSEFD
18
36%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
13
B7CE77_9FIRM
21
29%
0.36
PF01636
-
0 -
(0)
?
- /
3
/
6
0
14
Q5QYF2_IDILO
15
21%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
15
F5J3B0_9BACT
5
24%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
16
S3INB4_BACCE
18
17%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
17
E5X2I4_9BACE
16
24%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
18
S2VMB9_9ACTO
9
19%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
19
I0F473_9BACI
15
25%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
20
Q93ET9_ECOLX
72
99%
0.53
PF01636
81.4
0 -
(0)
?
- /
6
/
64
5
21
C9RNP1_FIBSS
13
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
5
0
22
V5HZI6_BYSSN
5
15%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
23
G4HT33_MYCRH
18
27%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
24
Q21D31_RHOPB
13
20%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
25
D5Q4H0_CLODI
6
25%
0.53
PF01636
-
0 -
(0)
?
- / - /
5
0
26
R5KKB2_9CLOT
9
24%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
27
I8QJX0_9ACTN
17
23%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
28
C7NYK6_HALMD
19
19%
0.33
PF01636
-
0 -
(0)
?
- / - /
4
0
29
J8JVE5_BACCE
17
23%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
30
R8YWL0_ACIPI
17
24%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
31
T0MA07_9EURY
14
29%
0.53
PF01636
-
0 -
(0)
?
- / - / -
0
32
D6TTE7_9CHLR
19
25%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
33
R7XWV2_9ACTN
20
20%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
34
KHYB_ECOLX
19
100%
0.51
PF01636
-
0 -
(0)
?
- / - /
12
0
35
G4EMA1_MYCIO
10
20%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
36
E3B685_9MICO
13
31%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
37
R7Y0S1_9ACTN
16
26%
0.33
PF01636
-
0 -
(0)
?
- / - / -
0
38
C7PUJ6_CHIPD
18
20%
0.32
PF01636
-
0 -
(0)
?
- / - /
1
0
39
C5FE38_ARTOC
13
18%
0.21
PF01636
-
0 -
(0)
?
- / - /
3
0
40
B0D1J7_LACBS
16
17%
0.24
PF01636
-
0 -
(0)
?
- / - /
4
0
41
J9Z0Z8_9PROT
20
34%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
42
Q2FNY6_METHJ
11
24%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
43
I2JNQ5_9GAMM
20
25%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
44
C5AGS1_BURGB
18
17%
0.37
PF01636
-
0 -
(0)
?
- / - /
1
0
45
R7N9Q7_9FIRM
15
30%
0.51
PF01636
-
0 -
(0)
?
- / - / -
0
46
K5XP12_9PROT
15
25%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
47
A9GMF3_SORC5
21
19%
0.23
PF01636
-
0 -
(0)
?
- / - /
3
0
48
A6FXB4_9DELT
18
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
1
0
49
C6DKR9_PECCP
20
18%
0.44
PF01636
-
0 -
(0)
?
- /
1
/
1
0
50
M4SKG6_9SPHN
15
21%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
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