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
R4YUA8_OLEAN
16
26%
0.33
PF01636
-
0 -
(0)
?
- / - /
1
0
2
E3J6D5_FRAIE
14
23%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
3
D5HFE1_9FIRM
15
25%
0.39
PF01636
-
0 -
(0)
?
- /
4
/
2
0
4
I8QJX0_9ACTN
17
23%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
5
D6U7Z0_9CHLR
17
26%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
6
K2DGB0_9BACT
11
19%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
7
Q0CEV4_ASPTN
12
17%
0.17
PF01636
-
0 -
(0)
?
- / - / -
0
8
I2JNQ5_9GAMM
20
25%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
9
F7K8U2_9FIRM
17
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
10
R6QK77_9CLOT
4
26%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
11
Q53826_STRMP
3
26%
0.42
-
-
0 -
(0)
?
- / - / -
0
12
G0T0J5_RHOT2
11
21%
0.24
PF01636
-
0 -
(0)
?
- / - / -
0
13
R7F7M2_9CLOT
18
18%
0.22
PF01636
-
0 -
(0)
?
- / - / -
0
14
E4NV09_HALBP
16
21%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
15
G0QCA2_NANSJ
18
18%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
16
Q05TY0_9SYNE
20
20%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
17
U5WRS4_MYCKA
8
25%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
18
G8PNP4_PSEUV
17
23%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
19
D1BRQ1_XYLCX
12
23%
0.14
PF01636
-
0 -
(0)
?
- / - / -
0
20
F2K4Y6_MARM1
17
22%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
21
A6FEQ4_9GAMM
19
20%
0.42
PF01636
-
0 -
(0)
?
- /
2
/
3
0
22
N1VVK0_9LEPT
18
24%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
23
G2GKJ7_9ACTN
12
30%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
24
A0BI55_PARTE
28
38%
0.22
PF02771
87.2
0 -
(0)
?
5
/
8
/
3
2
25
K9XQW5_STAC7
12
21%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
26
E8PLS8_THESS
16
23%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
27
M0CX78_9EURY
15
37%
0.12
-
-
0 -
(0)
?
- / - / -
0
28
F6IEE3_9SPHN
16
25%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
29
Q5WC41_BACSK
17
24%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
30
D6TPR2_9CHLR
17
25%
0.30
PF01636
-
0 -
(0)
?
- /
1
/
1
0
31
E8U5N2_DEIML
17
30%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
32
U1PU59_9EURY
17
30%
0.27
PF01636
-
0 -
(0)
?
- / - / -
0
33
R9IMS3_9FIRM
13
27%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
34
L8H2T2_ACACA
11
26%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
35
K0F1R0_9NOCA
18
23%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
36
D4DJP3_TRIVH
11
23%
0.20
PF01636
-
0 -
(0)
?
- / - /
7
0
37
E3B9U0_9MICO
11
20%
0.39
PF01636
-
0 -
(0)
?
- / - / -
0
38
T5L6G6_9MICO
18
36%
0.52
PF01636
-
0 -
(0)
?
- / - / -
0
39
L8MGD7_9PSED
17
25%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
40
A3DED6_CLOTH
17
27%
0.54
PF01636
-
0 -
(0)
?
- / - /
5
0
41
M0BR84_9EURY
18
19%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
42
E0RY10_BUTPB
21
42%
0.62
PF01636
100.0
0 -
(0)
?
- / - /
1
1
43
A5ELQ6_BRASB
20
21%
0.27
PF01636
-
0 -
(0)
?
- / - /
7
0
44
F7PTL5_9BACT
11
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
45
B0D1J7_LACBS
16
17%
0.24
PF01636
-
0 -
(0)
?
- / - /
4
0
46
D3E974_GEOS4
20
18%
0.30
PF01636
-
0 -
(0)
?
- / - /
5
0
47
M3VFL7_9ACTN
17
26%
0.33
PF01636
-
0 -
(0)
?
- / - / -
0
48
V5HZI6_BYSSN
5
15%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
49
K5XP12_9PROT
15
25%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
50
J8JVE5_BACCE
17
23%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
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