SIMILAR PATTERNS OF AMINO ACIDS FOR 3ILT_E_TRUE800

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.
1dmu BGLI RESTRICTION
ENDONUCLEASE

(Bacillus
subtilis) 		PF14562
(Endonuc_BglI) 		5 ILE A 288
PRO A 290
LEU A 285
SER A 239
LEU A  35
 None
 1.39A 3iltB-1dmuA:
undetectable
3iltE-1dmuA:
undetectable		 3iltB-1dmuA:
22.44
3iltE-1dmuA:
22.44
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		5 ILE B  56
SER A  74
MET A 237
SER A 236
SER B  67
 None
PYR  A  73 ( 3.9A)
None
PYR  A  73 ( 4.1A)
None
 1.49A 3iltB-1mhmB:
undetectable
3iltE-1mhmB:
undetectable		 3iltB-1mhmB:
17.98
3iltE-1mhmB:
17.98
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ILE A 238
SER A 220
LYS A 260
LEU A 258
LEU A 246
 None
 1.41A 3iltB-1tmxA:
undetectable
3iltE-1tmxA:
undetectable		 3iltB-1tmxA:
22.07
3iltE-1tmxA:
22.07
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.
1upf URACIL
PHOSPHORIBOSYLTRANSF
ERASE

(Toxoplasma
gondii) 		no annotation 5 ILE D 233
PRO D 165
SER D 116
LEU D 196
LEU D  73
 None
 1.45A 3iltB-1upfD:
undetectable
3iltE-1upfD:
undetectable		 3iltB-1upfD:
19.71
3iltE-1upfD:
19.71
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.
2qgs PROTEIN SE1688

(Staphylococcus
epidermidis) 		no annotation 5 LYS A   9
MET A  14
SER A  16
LEU A  83
LEU A  58
 None
 1.44A 3iltB-2qgsA:
undetectable
3iltE-2qgsA:
undetectable		 3iltB-2qgsA:
21.51
3iltE-2qgsA:
21.51
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		5 ILE A 158
SER A 152
LEU A 135
SER A 139
LEU A 142
 None
 1.11A 3iltB-2vn7A:
undetectable
3iltE-2vn7A:
undetectable		 3iltB-2vn7A:
17.72
3iltE-2vn7A:
17.72
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
 0.82A 3iltB-2znsA:
35.4
3iltE-2znsA:
35.4		 3iltB-2znsA:
51.92
3iltE-2znsA:
51.92
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.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 ILE A 430
SER A 408
LYS A 433
LEU A 706
LEU A 410
 None
 1.42A 3iltB-3eo3A:
undetectable
3iltE-3eo3A:
undetectable		 3iltB-3eo3A:
19.72
3iltE-3eo3A:
19.72
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.
3gtt SUPEROXIDE DISMUTASE
[CU-ZN]

(Mus musculus) 		PF00080
(Sod_Cu) 		5 SER A  25
PRO A  28
SER A 105
LEU A 106
LYS A   1
 None
 1.49A 3iltB-3gttA:
undetectable
3iltE-3gttA:
undetectable		 3iltB-3gttA:
21.27
3iltE-3gttA:
21.27
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)
 0.57A 3iltB-3h6tA:
37.5
3iltE-3h6tA:
37.0		 3iltB-3h6tA:
100.00
3iltE-3h6tA:
100.00
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ILE A 219
SER A 167
SER A 197
LEU A 213
LEU A 171
 None
 1.36A 3iltB-3otxA:
undetectable
3iltE-3otxA:
undetectable		 3iltB-3otxA:
20.34
3iltE-3otxA:
20.34
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
 0.80A 3iltB-3qxmA:
34.8
3iltE-3qxmA:
34.8		 3iltB-3qxmA:
51.92
3iltE-3qxmA:
51.92
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) 		5 LYS A 103
PRO A 104
MET A 106
LEU A 242
LYS A 246
 None
None
None
None
ZN  A 259 (-3.5A)
 0.78A 3iltB-3u92A:
34.3
3iltE-3u92A:
33.8		 3iltB-3u92A:
51.34
3iltE-3u92A:
51.34
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) 		5 PRO A 104
MET A 106
LEU A 234
LEU A 242
LYS A 246
 None
None
None
None
ZN  A 259 (-3.5A)
 0.74A 3iltB-3u92A:
34.3
3iltE-3u92A:
33.8		 3iltB-3u92A:
51.34
3iltE-3u92A:
51.34
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 ILE A 380
SER A 348
SER A 316
LEU A 345
SER A 416
 None
 1.30A 3iltB-4gwnA:
undetectable
3iltE-4gwnA:
undetectable		 3iltB-4gwnA:
19.49
3iltE-4gwnA:
19.49
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 505
SER A 495
PRO A 463
LEU A 500
LEU A 305
 FAD  A 601 (-4.4A)
None
None
None
None
 1.49A 3iltB-4ha6A:
undetectable
3iltE-4ha6A:
undetectable		 3iltB-4ha6A:
17.19
3iltE-4ha6A:
17.19
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.
4pb0 AB53 HEAVY CHAIN
AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 180
MET L 175
SER L 174
LEU H 177
SER H 178
 None
 1.45A 3iltB-4pb0H:
undetectable
3iltE-4pb0H:
undetectable		 3iltB-4pb0H:
22.06
3iltE-4pb0H:
22.06
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.
4ux3 MITOTIC CHROMOSOME
DETERMINANT-RELATED
PROTEIN
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
3

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N)
PF04825
(Rad21_Rec8_N) 		5 ILE A1030
LYS A1034
SER B  54
LEU A 179
LEU B  68
 None
 1.11A 3iltB-4ux3A:
undetectable
3iltE-4ux3A:
undetectable		 3iltB-4ux3A:
19.14
3iltE-4ux3A:
19.14
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
 0.62A 3iltB-4wxjA:
34.6
3iltE-4wxjA:
34.3		 3iltB-4wxjA:
41.42
3iltE-4wxjA:
41.42
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.
5d6g 50S RIBOSOMAL
PROTEIN L10

(Methanocaldococcus
jannaschii) 		PF00466
(Ribosomal_L10) 		5 ILE A 153
SER A 132
PRO A 137
MET A 135
LEU A 141
 None
 1.30A 3iltB-5d6gA:
undetectable
3iltE-5d6gA:
undetectable		 3iltB-5d6gA:
25.44
3iltE-5d6gA:
25.44
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
 0.64A 3iltB-5dtbA:
35.8
3iltE-5dtbA:
35.7		 3iltB-5dtbA:
54.79
3iltE-5dtbA:
54.79
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
 0.98A 3iltB-5ictA:
35.9
3iltE-5ictA:
35.6		 3iltB-5ictA:
55.81
3iltE-5ictA:
55.81
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) 		6 LYS A 103
PRO A 104
MET A 106
LEU A 235
LEU A 243
LYS A 247
 None
 0.87A 3iltB-5ikbA:
32.6
3iltE-5ikbA:
32.2		 3iltB-5ikbA:
54.41
3iltE-5ikbA:
54.41
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
SER A 497
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
 0.59A 3iltB-5l1bA:
19.5
3iltE-5l1bA:
19.1		 3iltB-5l1bA:
70.44
3iltE-5l1bA:
70.44
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) 		7 LYS A 493
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
LYS A 763
 None
 1.00A 3iltB-5welA:
29.3
3iltE-5welA:
28.8		 3iltB-5welA:
66.93
3iltE-5welA:
66.93
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) 		7 LYS A 493
PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
LEU A 759
 None
 0.84A 3iltB-5welA:
29.3
3iltE-5welA:
28.8		 3iltB-5welA:
66.93
3iltE-5welA:
66.93
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)
 1.05A 3iltB-5weoA:
21.4
3iltE-5weoA:
21.3		 3iltB-5weoA:
66.93
3iltE-5weoA:
66.93
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)
 1.05A 3iltB-5weoA:
21.4
3iltE-5weoA:
21.3		 3iltB-5weoA:
66.93
3iltE-5weoA:
66.93
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)
 0.98A 3iltB-5weoA:
21.4
3iltE-5weoA:
21.3		 3iltB-5weoA:
66.93
3iltE-5weoA:
66.93
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
 0.78A 3iltB-5weoA:
21.4
3iltE-5weoA:
21.3		 3iltB-5weoA:
66.93
3iltE-5weoA:
66.93
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.
5y0q UPF0348 PROTEIN
B4417_3650

(Bacillus
subtilis) 		no annotation 5 ILE A 335
SER A 361
PRO A 358
SER A 365
LEU A 355
 None
 1.46A 3iltB-5y0qA:
undetectable
3iltE-5y0qA:
undetectable		 3iltB-5y0qA:
undetectable
3iltE-5y0qA:
undetectable