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
E6WJV6_PANSA
18
26%
0.50
-
-
0 -
(0)
?
- / - /
1
0
2
F5YRU0_MYCSD
22
49%
0.57
-
100.0
0 -
(0)
?
- /
1
/
9
2
3
G2XFR5_VERDV
0
23%
0.15
-
-
0 -
(0)
?
- / - / -
0
4
G8PTR3_PSEUV
14
25%
0.49
-
-
0 -
(0)
?
- / - /
1
0
5
I1BMF0_RHIO9
20
34%
0.41
-
100.0
0 -
(0)
?
- /
5
/
3
1
6
M0CX78_9EURY
15
37%
0.12
-
-
0 -
(0)
?
- / - / -
0
7
M8A5X5_TRIUA
35
32%
0.39
-
-
0 -
(0)
?
- /
8
/
13
0
8
N0E433_9MICO
13
33%
0.46
-
-
0 -
(0)
?
- / - /
3
0
9
Q0STX8_CLOPS
16
26%
0.40
-
-
0 -
(0)
?
- / - /
1
0
10
Q53826_STRMP
3
26%
0.42
-
-
0 -
(0)
?
- / - / -
0
11
R5LFF7_9FIRM
3
20%
0.30
-
-
0 -
(0)
?
- / - / -
0
12
V4IJZ3_9ACTN
20
43%
0.23
-
68.4
0 -
(0)
?
- / - /
5
1
13
D1BT79_XYLCX
3
23%
0.25
-
-
0 -
(0)
?
- / - /
1
0
14
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
15
E9F776_METRA
63
42%
0.40
PF00106
98.1
0 -
(0)
?
10
/
33
/
9
3
16
K6XNV5_9ALTE
36
41%
0.28
PF00202
96.3
0 -
(0)
?
- / - /
21
3
17
A6FXA8_9DELT
59
41%
0.28
PF00202
85.9
0 -
(0)
?
- / - /
45
11
18
B5X3C6_SALSA
41
35%
0.20
PF00561
-
0 -
(0)
?
- / - /
30
0
19
C9Z3E0_STRSW
18
23%
0.34
PF01202
-
0 -
(0)
?
- /
5
/ -
0
20
D5HFE1_9FIRM
15
25%
0.39
PF01636
-
0 -
(0)
?
- /
4
/
2
0
21
F2K4Y6_MARM1
17
22%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
22
K5XP12_9PROT
15
25%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
23
F8KWK6_PARAV
15
22%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
24
N0E4S8_9MICO
11
28%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
25
A9NGK0_ACHLI
20
30%
0.48
PF01636
-
0 -
(0)
?
- /
2
/
4
0
26
R8APF5_PLESH
19
18%
0.41
PF01636
-
0 -
(0)
?
- / - /
1
0
27
U1LW46_9GAMM
16
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
28
M7NF34_9BACL
11
19%
0.13
PF01636
-
0 -
(0)
?
- / - / -
0
29
E4NV09_HALBP
16
21%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
30
B0D1J7_LACBS
16
17%
0.24
PF01636
-
0 -
(0)
?
- / - /
4
0
31
F3YTR5_DESAF
18
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
32
J8LMR3_BACCE
17
18%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
33
E8MZX5_ANATU
14
23%
0.32
PF01636
-
0 -
(0)
?
- / - / -
0
34
F0Y3S2_AURAN
18
18%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
35
G4H9V8_9BACL
18
21%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
36
K2E0C8_9BACT
15
22%
0.37
PF01636
-
0 -
(0)
?
- / - / -
0
37
K9XQW5_STAC7
12
21%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
38
Q5WC41_BACSK
17
24%
0.38
PF01636
-
0 -
(0)
?
- / - / -
0
39
R7JXB3_9FIRM
14
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
40
S2YZI8_9CORY
17
38%
0.48
PF01636
61.5
0 -
(0)
?
- / - /
5
1
41
S3INB4_BACCE
18
17%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
42
U1Y159_9ACTN
15
18%
0.28
PF01636
-
0 -
(0)
?
- / - / -
0
43
U2E739_9BACT
18
20%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
44
U2FMB4_9BURK
18
19%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
45
D4L2V5_9FIRM
12
23%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
46
D4MJE0_9FIRM
17
19%
0.40
PF01636
-
0 -
(0)
?
- /
1
/
4
0
47
E6S7B1_INTC7
17
32%
0.42
PF01636
-
0 -
(0)
?
- / - /
1
0
48
F6IEE3_9SPHN
16
25%
0.30
PF01636
-
0 -
(0)
?
- / - / -
0
49
I0IBX3_PHYMF
13
27%
0.36
PF01636
-
0 -
(0)
?
- / - / -
0
50
J9Z0Z8_9PROT
20
34%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
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