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
D1YUH5_METPS
10
21%
0.28
PF01636
-
0 -
(0)
?
- / - /
5
0
51
C5L1P2_PERM5
17
34%
0.15
PF01636
-
0 -
(0)
?
- / - /
5
0
52
C9RNP1_FIBSS
13
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
5
0
53
B7JCH6_ECOLX
18
36%
0.46
PF01636
-
0 -
(0)
?
- / - /
5
0
54
S2YZI8_9CORY
17
38%
0.48
PF01636
61.5
0 -
(0)
?
- / - /
5
1
55
A3DED6_CLOTH
17
27%
0.54
PF01636
-
0 -
(0)
?
- / - /
5
0
56
B4D9C8_9BACT
17
22%
0.26
PF01636
-
0 -
(0)
?
- / - /
5
0
57
V4IJZ3_9ACTN
20
43%
0.23
-
68.4
0 -
(0)
?
- / - /
5
1
58
D3E974_GEOS4
20
18%
0.30
PF01636
-
0 -
(0)
?
- / - /
5
0
59
A4BIV1_9GAMM
21
36%
0.51
PF01636
-
0 -
(0)
?
- / - /
5
0
60
D5Q4H0_CLODI
6
25%
0.53
PF01636
-
0 -
(0)
?
- / - /
5
0
61
B2TNJ0_CLOBB
11
24%
0.48
PF01636
-
0 -
(0)
?
- / - /
5
0
62
A8LMB5_DINSH
19
26%
0.33
PF01636
-
0 -
(0)
?
- / - /
5
0
63
B2W7V1_PYRTR
16
26%
0.31
PF01636
-
0 -
(0)
?
- / - /
5
0
64
B0D1J7_LACBS
16
17%
0.24
PF01636
-
0 -
(0)
?
- / - /
4
0
65
D1YWE3_METPS
18
22%
0.29
PF01636
-
0 -
(0)
?
- / - /
4
0
66
C2YU92_BACCE
15
26%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
67
B8CXT6_HALOH
12
25%
0.40
PF01636
-
0 -
(0)
?
- / - /
4
0
68
D5V1R1_ARCNC
19
26%
0.45
PF01636
-
0 -
(0)
?
- / - /
4
0
69
J2XSJ3_9PSED
17
50%
0.54
PF01636
100.0
0 -
(0)
?
- / - /
4
1
70
C7NYK6_HALMD
19
19%
0.33
PF01636
-
0 -
(0)
?
- / - /
4
0
71
A3TRE0_9MICO
20
21%
0.33
PF01636
-
0 -
(0)
?
- / - /
4
0
72
D2PYS6_KRIFD
21
20%
0.35
PF01636
-
0 -
(0)
?
- / - /
4
0
73
A9GR62_SORC5
21
31%
0.41
PF01636
-
0 -
(0)
?
- / - /
4
0
74
A4ZPY7_CHRVL
19
26%
0.47
PF01636
-
0 -
(0)
?
- / - /
3
0
75
A4A2H0_9PLAN
20
18%
0.29
PF01636
-
0 -
(0)
?
- / - /
3
0
76
A3JM04_9RHOB
19
24%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
77
A1T6B2_MYCVP
20
21%
0.39
PF01636
-
0 -
(0)
?
- / - /
3
0
78
N0E433_9MICO
13
33%
0.46
-
-
0 -
(0)
?
- / - /
3
0
79
B9JPT8_AGRRK
20
22%
0.32
PF01636
-
0 -
(0)
?
- / - /
3
0
80
C5FE38_ARTOC
13
18%
0.21
PF01636
-
0 -
(0)
?
- / - /
3
0
81
D5ZQ68_STRVD
20
20%
0.37
PF01636
-
0 -
(0)
?
- / - /
3
0
82
B2UM73_AKKM8
13
23%
0.35
PF01636
-
0 -
(0)
?
- / - /
3
0
83
A9GMF3_SORC5
21
19%
0.23
PF01636
-
0 -
(0)
?
- / - /
3
0
84
A4W9L8_ENT38
20
40%
0.57
PF01636
-
0 -
(0)
?
- / - /
3
0
85
D2PS12_KRIFD
20
21%
0.40
PF01636
-
0 -
(0)
?
- / - /
3
0
86
D1A4X4_THECD
18
22%
0.29
PF01636
-
0 -
(0)
?
- / - /
3
0
87
O06916_LEGPN
20
100%
0.56
PF01636
88.6
0 -
(0)
?
- / - /
3
3
88
D8PII8_9BACT
14
29%
0.41
PF01636
-
0 -
(0)
?
- / - /
2
0
89
C8PZG6_9PROT
14
27%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
90
C7NMJ1_HALUD
21
18%
0.29
PF01636
-
0 -
(0)
?
- / - /
2
0
91
I3DZX0_BACMT
18
37%
0.50
PF01636
-
0 -
(0)
?
- / - /
2
0
92
B7DRV0_9BACL
19
21%
0.28
PF01636
-
0 -
(0)
?
- / - /
2
0
93
A3SHE0_ROSNI
19
18%
0.27
PF01636
-
0 -
(0)
?
- / - /
2
0
94
D2Q2U7_KRIFD
17
27%
0.32
PF01636
-
0 -
(0)
?
- / - /
2
0
95
A9KMG0_LACP7
16
22%
0.44
PF01636
-
0 -
(0)
?
- / - /
2
0
96
B5HLT6_9ACTN
12
17%
0.17
PF01636
-
0 -
(0)
?
- / - /
2
0
97
R6BBM7_9CLOT
17
32%
0.29
PF12848
-
0 -
(0)
?
- / - /
2
0
98
D3Q375_STANL
15
21%
0.30
PF01636
-
0 -
(0)
?
- / - /
2
0
99
A3TLW1_9MICO
17
20%
0.44
PF01636
-
0 -
(0)
?
- / - /
2
0
100
N9AF92_9GAMM
19
39%
0.46
PF01636
100.0
0 -
(0)
?
- / - /
2
1
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