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
C1B3I2_RHOOB
17
22%
0.35
PF01636
-
0 -
(0)
?
- / - /
5
0
51
C2YU92_BACCE
15
26%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
52
C5AGS1_BURGB
18
17%
0.37
PF01636
-
0 -
(0)
?
- / - /
1
0
53
C5CJ43_KOSOT
14
16%
0.33
PF01636
-
0 -
(0)
?
- /
1
/
2
0
54
C5FE38_ARTOC
13
18%
0.21
PF01636
-
0 -
(0)
?
- / - /
3
0
55
C5L1P2_PERM5
17
34%
0.15
PF01636
-
0 -
(0)
?
- / - /
5
0
56
C6DKR9_PECCP
20
18%
0.44
PF01636
-
0 -
(0)
?
- /
1
/
1
0
57
C7NMJ1_HALUD
21
18%
0.29
PF01636
-
0 -
(0)
?
- / - /
2
0
58
C7NYK6_HALMD
19
19%
0.33
PF01636
-
0 -
(0)
?
- / - /
4
0
59
C7PUJ6_CHIPD
18
20%
0.32
PF01636
-
0 -
(0)
?
- / - /
1
0
60
C8PZG6_9PROT
14
27%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
61
C8X4P4_DESRD
6
24%
0.19
PF01895
-
0 -
(0)
?
- / - / -
0
62
C9RNP1_FIBSS
13
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
5
0
63
C9Z3E0_STRSW
18
23%
0.34
PF01202
-
0 -
(0)
?
- /
5
/ -
0
64
D1A4X4_THECD
18
22%
0.29
PF01636
-
0 -
(0)
?
- / - /
3
0
65
D1BRQ1_XYLCX
12
23%
0.14
PF01636
-
0 -
(0)
?
- / - / -
0
66
D1BT79_XYLCX
3
23%
0.25
-
-
0 -
(0)
?
- / - /
1
0
67
D1YUH5_METPS
10
21%
0.28
PF01636
-
0 -
(0)
?
- / - /
5
0
68
D1YWE3_METPS
18
22%
0.29
PF01636
-
0 -
(0)
?
- / - /
4
0
69
D2NS48_ROTMD
10
27%
0.30
PF01636
-
0 -
(0)
?
- / - /
1
0
70
D2PKQ6_KRIFD
15
19%
0.39
PF01636
-
0 -
(0)
?
- /
1
/
1
0
71
D2PS12_KRIFD
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
3
0
72
D2PYS6_KRIFD
21
20%
0.35
PF01636
-
0 -
(0)
?
- / - /
4
0
73
D2Q0R0_KRIFD
18
23%
0.45
PF01636
-
0 -
(0)
?
- / - /
5
0
74
D2Q2Q9_KRIFD
14
23%
0.51
PF01636
-
0 -
(0)
?
- / - /
10
0
75
D2Q2U7_KRIFD
17
27%
0.32
PF01636
-
0 -
(0)
?
- / - /
2
0
76
D3D0J2_9ACTN
14
20%
0.20
PF01636
-
0 -
(0)
?
- / - /
1
0
77
D3E974_GEOS4
20
18%
0.30
PF01636
-
0 -
(0)
?
- / - /
5
0
78
D3Q375_STANL
15
21%
0.30
PF01636
-
0 -
(0)
?
- / - /
2
0
79
D3Q5J5_STANL
17
28%
0.43
PF01636
-
0 -
(0)
?
- /
2
/
7
0
80
D3QBL2_STANL
10
31%
0.23
PF01636
-
0 -
(0)
?
- / - /
6
0
81
D4DJP3_TRIVH
11
23%
0.20
PF01636
-
0 -
(0)
?
- / - /
7
0
82
D4L2V5_9FIRM
12
23%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
83
D4MJE0_9FIRM
17
19%
0.40
PF01636
-
0 -
(0)
?
- /
1
/
4
0
84
D4YZ71_SPHJU
18
31%
0.34
PF03109
93.4
0 -
(0)
?
- /
2
/
8
2
85
D5HFE1_9FIRM
15
25%
0.39
PF01636
-
0 -
(0)
?
- /
4
/
2
0
86
D5Q4H0_CLODI
6
25%
0.53
PF01636
-
0 -
(0)
?
- / - /
5
0
87
D5V1R1_ARCNC
19
26%
0.45
PF01636
-
0 -
(0)
?
- / - /
4
0
88
D5ZQ68_STRVD
20
20%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
89
D6TP58_9CHLR
16
24%
0.39
PF01636
-
0 -
(0)
?
- / - /
6
0
90
D6TPR2_9CHLR
17
25%
0.30
PF01636
-
0 -
(0)
?
- /
1
/
1
0
91
D6TTE7_9CHLR
19
25%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
92
D6TTE9_9CHLR
10
17%
0.19
PF01636
-
0 -
(0)
?
- / - / -
0
93
D6TTH6_9CHLR
19
24%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
94
D6U7Z0_9CHLR
17
26%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
95
D6Y3V0_THEBD
18
27%
0.56
PF01636
-
0 -
(0)
?
- / - / -
0
96
D7WCG9_9CORY
10
15%
0.29
PF01636
-
0 -
(0)
?
- / - / -
0
97
D8PII8_9BACT
14
29%
0.41
PF01636
-
0 -
(0)
?
- / - /
2
0
98
D8SXP9_SELML
20
33%
0.48
-
-
0 -
(0)
?
- /
5
/
6
0
99
D9UXT4_9ACTN
16
17%
0.34
PF01636
-
0 -
(0)
?
- / - / -
0
100
D9XR11_9ACTN
16
19%
0.40
PF01636
-
0 -
(0)
?
- / - / -
0
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