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]
50
G4HT33_MYCRH
18
27%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
51
U5WRS4_MYCKA
8
25%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
52
K2FC20_9BACT
19
29%
0.47
PF01636
-
0 -
(0)
?
- /
1
/ -
0
53
K1ZM94_9BACT
18
22%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
54
N0E433_9MICO
13
33%
0.46
-
-
0 -
(0)
?
- / - /
3
0
55
H3SQ70_9BACL
15
27%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
56
K7QWY9_THEOS
19
25%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
57
B7JCH6_ECOLX
18
36%
0.46
PF01636
-
0 -
(0)
?
- / - /
5
0
58
N9AF92_9GAMM
19
39%
0.46
PF01636
100.0
0 -
(0)
?
- / - /
2
1
59
K2E333_9BACT
17
18%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
60
G2J9H1_9BURK
15
37%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
61
R5SY67_9CLOT
14
24%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
62
D5V1R1_ARCNC
19
26%
0.45
PF01636
-
0 -
(0)
?
- / - /
4
0
63
A9FES3_SORC5
18
23%
0.45
PF01636
-
0 -
(0)
?
- / - /
7
0
64
D2Q0R0_KRIFD
18
23%
0.45
PF01636
-
0 -
(0)
?
- / - /
5
0
65
G2GKJ7_9ACTN
12
30%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
66
E6WJV5_PANSA
15
18%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
67
D6U7Z0_9CHLR
17
26%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
68
F7Q224_9BACT
20
24%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
69
A9KMG0_LACP7
16
22%
0.44
PF01636
-
0 -
(0)
?
- / - /
2
0
70
N1VVK0_9LEPT
18
24%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
71
D4L2V5_9FIRM
12
23%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
72
A3TLW1_9MICO
17
20%
0.44
PF01636
-
0 -
(0)
?
- / - /
2
0
73
C6DKR9_PECCP
20
18%
0.44
PF01636
-
0 -
(0)
?
- /
1
/
1
0
74
F8KWK6_PARAV
15
22%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
75
L0ISJ1_9MYCO
18
27%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
76
R4VTI4_9EURY
19
21%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
77
H1PWL5_9FUSO
19
18%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
78
D3Q5J5_STANL
17
28%
0.43
PF01636
-
0 -
(0)
?
- /
2
/
7
0
79
N4WMQ4_9BACI
20
23%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
80
H3ZD64_9ALTE
16
21%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
81
D6TTE7_9CHLR
19
25%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
82
L8LWE4_9CYAN
17
23%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
83
KHSE_HERAR
14
38%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
84
G8SGH3_ACTS5
13
26%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
85
E6S7B1_INTC7
17
32%
0.42
PF01636
-
0 -
(0)
?
- / - /
1
0
86
Q53826_STRMP
3
26%
0.42
-
-
0 -
(0)
?
- / - / -
0
87
YCBJ_ECO57
16
20%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
88
F5Y3R6_RAMTT
12
25%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
89
A6FEQ4_9GAMM
19
20%
0.42
PF01636
-
0 -
(0)
?
- /
2
/
3
0
90
L8MGD7_9PSED
17
25%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
91
K4KMB0_SIMAS
14
20%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
92
C8PZG6_9PROT
14
27%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
93
R8APF5_PLESH
19
18%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
94
S9SKL5_PAEAL
18
24%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
95
F5XQE5_MICPN
13
19%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
96
A9GR62_SORC5
21
31%
0.41
PF01636
-
0 -
(0)
?
- / - /
4
0
97
U2E739_9BACT
18
20%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
98
H2JTW9_STRHJ
7
25%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
99
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
100
I2JNQ5_9GAMM
20
25%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
<<
Page
1
2
3
4
5
6
7
8
/ 8
>>
- Show
50
100
250
500
All