Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
APH2 (2019 - bacterial pathogens - focused screen of APH enzymes from selected human pathogens)
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
GNP - [nb=44] --> .....ONIC ACID-GUANYLATE ESTER
ADP - [nb=22] --> ADENOSINE-5'-DIPHOSPHATE
KAN - [nb=17] --> KANAMYCIN A
AMP - [nb=11] --> ADENOSINE MONOPHOSPHATE
EDO - [nb=9] --> 1,2-ETHANEDIOL
GDP - [nb=9] --> GUANOSINE-5'-DIPHOSPHATE
GMP - [nb=7] --> GUANOSINE
NMY - [nb=6] --> NEOMYCIN
BEZ - [nb=6] --> BENZOIC ACID
GCP - [nb=4] --> .....ONIC ACID GUANYLATE ESTER
PQ7 - [nb=4] --> .....L)BUTYL]BENZYL}PYRIDINIUM
CKI - [nb=4] --> .....SOQUINOLINE-8-SULFONAMIDE
ANP - [nb=4] --> .....ONIC ACID-ADENYLATE ESTER
LLL - [nb=4] --> .....RAHYDRO-2H-PYRAN-3,5-DIOL
51G - [nb=4] --> gentamicin C1
ATP - [nb=3] --> ADENOSINE-5'-TRIPHOSPHATE
PT3 - [nb=3] --> N-PROPYL-TARTRAMIC ACID
NBR - [nb=3] --> .....-DIMETHYL-PYRIDIN-4-AMINE
84G - [nb=2] --> Arbekacin
ADN - [nb=2] --> ADENOSINE
UNL - [nb=1] --> UNKNOWN LIGAND
LIV - [nb=1] --> .....YDRO-2H-PYRAN-3,4,5-TRIOL
AKN - [nb=1] --> .....nyl-2-oxidanyl-butanamide
ACY - [nb=1] --> ACETIC ACID
HIS - [nb=1] --> HISTIDINE
SRY - [nb=1] --> STREPTOMYCIN
GOL - [nb=1] --> GLYCEROL
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
Q836S4_ENTFA_
16
16%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
2
Q32A29_SHIDS_
20
99%
0.55
PF01636
-
0 -
(0)
?
- / - / -
0
3
A5M7M3_STREE_
18
99%
0.54
PF01636
65.4
0 -
(0)
?
- / - /
7
2
4
Q837Y4_ENTFA_
18
18%
0.35
PF01636
-
0 -
(0)
?
- / - / -
0
5
A5M6G4_STREE_
18
17%
0.42
PF01636
-
0 -
(0)
?
- / - /
2
0
6
Q9I632_PSEAE_
18
43%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
7
THIK_SHIDS_
20
18%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
8
LICA1_HAEIN_
19
31%
0.45
-
50.0
0 -
(0)
?
- / - /
10
1
9
A6TIY6_KLEP7_
22
34%
0.40
PF01636
-
0 -
(0)
?
- /
3
/
7
0
10
Q5F650_NEIG1_
10
28%
0.43
PF01636
-
0 -
(0)
?
- / - /
1
0
11
G8LLW6_ENTCL_
19
80%
0.53
PF01636
-
0 -
(0)
?
- / - /
1
0
12
RDOA_SALTY_
17
86%
0.54
PF01636
-
0 -
(0)
?
- / - / -
0
13
THIK_ECOLI_
19
18%
0.42
PF01636
-
0 -
(0)
?
- / - / -
0
14
S3THP2_ACIBA_
18
27%
0.43
PF01636
-
0 -
(0)
?
- / - / -
0
15
A6TG64_KLEP7_
20
81%
0.54
PF01636
-
0 -
(0)
?
- / - /
1
0
16
Q7CQN8_SALTY_
17
40%
0.58
PF01636
-
0 -
(0)
?
- / - / -
0
17
A6T7G5_KLEP7_
18
19%
0.45
PF01636
-
0 -
(0)
?
- / - /
3
0
18
Q2FXI1_STAA8_
18
22%
0.27
PF01636
-
0 -
(0)
?
- / - /
1
0
19
S3TEL8_ACIBA_
19
36%
0.47
PF01636
100.0
0 -
(0)
?
- / - /
2
1
20
Q3Y2Z0_ENTFC_
18
20%
0.41
PF01636
-
0 -
(0)
?
- / - / -
0
21
Q0WE80_YERPE_
21
42%
0.52
PF01636
-
0 -
(0)
?
- / - /
2
0
22
Q9I2R6_PSEAE_
17
34%
0.46
PF01636
-
0 -
(0)
?
- / - / -
0
23
Q3Y248_ENTFC_
20
100%
0.84
PF01636
97.3
0 -
(0)
?
- /
7
/
6
2
24
Q9HV96_PSEAE_
9
18%
0.17
PF01636
-
0 -
(0)
?
- / - / -
0
25
G8LJL9_ENTCL_
21
19%
0.48
PF01636
-
0 -
(0)
?
- / - /
7
0
26
Q9I4B1_PSEAE_
9
24%
0.49
PF01636
-
0 -
(0)
?
- / - / -
0
27
S3TB69_ACIBA_
19
33%
0.44
PF01636
-
0 -
(0)
?
- / - / -
0
28
A6TJ01_KLEP7_
38
100%
0.62
PF01636
65.5
0 -
(0)
?
- /
2
/
17
4
29
A6TAJ2_KLEP7_
21
39%
0.55
PF01636
-
0 -
(0)
?
- / - /
2
0
30
Q5F561_NEIG1_
17
39%
0.47
PF01636
-
0 -
(0)
?
- / - / -
0
31
G8LDJ7_ENTCL_
7
19%
0.38
PF01636
-
0 -
(0)
?
- / - /
1
0
32
Q3XZZ9_ENTFC_
18
33%
0.48
PF01636
-
0 -
(0)
?
- / - / -
0
33
YNIA_ECOLI_
19
42%
0.55
PF01636
-
0 -
(0)
?
- / - / -
0
34
Q2FV31_STAA8_
18
31%
0.50
PF01636
-
0 -
(0)
?
- / - / -
0
35
Q32FH6_SHIDS_
17
42%
0.55
PF01636
-
0 -
(0)
?
- / - / -
0
36
THIK_SALTY_
17
20%
0.34
PF01636
-
0 -
(0)
?
- / - /
1
0
37
G8LKL0_ENTCL_
20
43%
0.47
PF01636
100.0
0 -
(0)
?
- / - /
3
1
38
KHSE_PSEAE_
21
39%
0.52
PF01636
-
0 -
(0)
?
- / - /
6
0
39
Q9HWR2_PSEAE_
18
53%
0.44
PF01636
77.0
0 -
(0)
?
- /
1
/
4
2
40
AACA_ENTFA_
82
100%
0.42
PF01636
72.4
0 -
(0)
?
- /
51
/
27
12
41
S3TE00_ACIBA_
15
31%
0.45
PF01636
-
0 -
(0)
?
- / - / -
0
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