SIMILAR PATTERNS OF AMINO ACIDS FOR 3TKD_B_CYZB267_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlc 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		5 PRO A 106
SER A 261
LEU A 130
SER A 249
ASP A 247
 None
 1.48A 3tkdB-1vlcA:
undetectable		 3tkdB-1vlcA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 516
PRO A 517
MET A 519
LEU A 768
LEU A 776
LYS A 780
 None
 0.81A 3tkdB-2znsA:
37.7		 3tkdB-2znsA:
53.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		8 LYS A 104
PRO A 105
MET A 107
SER A 108
LEU A 239
SER A 242
LEU A 247
LYS A 251
 None
CYZ  A 265 (-3.9A)
None
CYZ  A 265 (-2.8A)
CYZ  A 265 (-4.7A)
CYZ  A 265 (-2.9A)
CYZ  A 265 (-4.3A)
CYZ  A 265 ( 4.4A)
 0.36A 3tkdB-3h6tA:
42.7		 3tkdB-3h6tA:
99.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 500
PRO A 501
MET A 503
LEU A 752
LEU A 760
LYS A 764
 None
 0.78A 3tkdB-3qxmA:
37.7		 3tkdB-3qxmA:
52.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		6 LYS A 103
PRO A 104
MET A 106
LEU A 234
LEU A 242
LYS A 246
 None
None
None
None
None
ZN  A 259 (-3.5A)
 0.84A 3tkdB-3u92A:
37.7		 3tkdB-3u92A:
52.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxj GLUTAMATE RECEPTOR
IIB,GLUTAMATE
RECEPTOR IIB

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 112
MET A 114
LEU A 245
SER A 248
LEU A 253
 None
 0.58A 3tkdB-4wxjA:
36.7		 3tkdB-4wxjA:
40.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zws RECOMBINATION
PROTEIN UVSY

(Escherichia
virus T4) 		PF11056
(UvsY) 		5 LEU A 107
SER A 111
LEU A 114
ASP A 115
LYS A 118
 None
 0.98A 3tkdB-4zwsA:
undetectable		 3tkdB-4zwsA:
21.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 109
MET A 111
LEU A 242
LEU A 250
LYS A 254
 None
 0.44A 3tkdB-5dtbA:
38.8		 3tkdB-5dtbA:
54.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ict GLUTAMATE RECEPTOR 1

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 110
PRO A 111
MET A 113
LEU A 244
LEU A 252
 None
 0.99A 3tkdB-5ictA:
38.6		 3tkdB-5ictA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 103
PRO A 104
MET A 106
LEU A 243
LYS A 247
 None
 0.88A 3tkdB-5ikbA:
36.7		 3tkdB-5ikbA:
55.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 PRO A 104
MET A 106
LEU A 235
LEU A 243
LYS A 247
 None
 0.51A 3tkdB-5ikbA:
36.7		 3tkdB-5ikbA:
55.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
LEU A 751
SER A 754
LEU A 759
ASP A 760
LYS A 763
 None
 0.48A 3tkdB-5l1bA:
21.7		 3tkdB-5l1bA:
34.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		8 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
ASP A 760
LYS A 763
 None
 0.62A 3tkdB-5l1bA:
21.7		 3tkdB-5l1bA:
34.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
ASP A 760
 None
 0.86A 3tkdB-5welA:
31.6		 3tkdB-5welA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		8 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
 0.96A 3tkdB-5welA:
31.6		 3tkdB-5welA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
CYZ  A1302 (-4.3A)
None
CYZ  A1302 ( 4.1A)
None
CYZ  A1302 (-2.9A)
 0.91A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
SER A 497
LEU A 751
LEU A 759
ASP A 760
 None
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
None
CYZ  A1302 (-3.8A)
 0.73A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 LYS A 493
MET A 496
SER A 497
LEU A 751
LEU A 759
LYS A 763
 None
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
None
CYZ  A1302 (-2.9A)
 0.90A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
MET A 496
LEU A 751
SER A 754
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
None
CYZ  A1302 ( 4.1A)
 0.90A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
 0.66A 3tkdB-5weoA:
24.5		 3tkdB-5weoA:
33.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 PRO A 125
SER A 129
LEU A  70
SER A  66
LEU A  63
 None
 1.48A 3tkdB-6em0A:
undetectable		 3tkdB-6em0A:
16.35