SIMILAR PATTERNS OF AMINO ACIDS FOR 3ILT_B_TRUB800_1

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 PRO A 290
LEU A 285
SER A 239
LEU A  35
ILE A 288
 None
 1.35A 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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 SER A 114
LEU A 152
LEU A 117
ILE A 141
SER A 119
 None
 1.26A 3iltB-1kcxA:
undetectable
3iltE-1kcxA:
undetectable		 3iltB-1kcxA:
20.00
3iltE-1kcxA:
20.00
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.
2lsn RNASE H

(Simian foamy
virus) 		PF00075
(RNase_H) 		5 LEU A  95
LEU A 111
ILE A 120
SER A 115
LYS A 118
 None
 1.34A 3iltB-2lsnA:
undetectable
3iltE-2lsnA:
undetectable		 3iltB-2lsnA:
22.05
3iltE-2lsnA:
22.05
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 LEU A 135
SER A 139
LEU A 142
ILE A 158
SER A 152
 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
 0.90A 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 LYS A 433
LEU A 706
LEU A 410
ILE A 430
SER A 408
 None
 1.45A 3iltB-3eo3A:
undetectable
3iltE-3eo3A:
undetectable		 3iltB-3eo3A:
19.72
3iltE-3eo3A:
19.72
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 SER A 197
LEU A 213
LEU A 171
ILE A 219
SER A 167
 None
 1.33A 3iltB-3otxA:
undetectable
3iltE-3otxA:
undetectable		 3iltB-3otxA:
20.34
3iltE-3otxA:
20.34
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  15
SER A  17
LEU A  19
ILE A  12
LYS A 379
 None
 1.45A 3iltB-3q98A:
undetectable
3iltE-3q98A:
undetectable		 3iltB-3q98A:
22.47
3iltE-3q98A:
22.47
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) 		5 LYS A 500
MET A 503
LEU A 752
LEU A 760
LYS A 764
 None
 0.86A 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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 500
PRO A 501
MET A 503
LEU A 752
LEU A 760
 None
 0.75A 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) 		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)
 0.94A 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 SER A 316
LEU A 345
SER A 416
ILE A 380
SER A 348
 None
 1.39A 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 PRO A 463
LEU A 500
LEU A 305
ILE A 505
SER A 495
 None
None
None
FAD  A 601 (-4.4A)
None
 1.45A 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.
4ii3 UBIQUITIN-60S
RIBOSOMAL PROTEIN
L40

(Schizosaccharomyces
pombe) 		PF00240
(ubiquitin) 		5 LEU B  69
LEU B  15
ILE B  36
SER B  28
LYS B  27
 None
 1.50A 3iltB-4ii3B:
undetectable
3iltE-4ii3B:
undetectable		 3iltB-4ii3B:
20.66
3iltE-4ii3B:
20.66
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 PRO A  32
SER A  64
LEU A  42
LEU A  34
SER A  36
 None
None
None
None
INS  A 401 ( 4.4A)
 1.36A 3iltB-4rxmA:
2.1
3iltE-4rxmA:
3.4		 3iltB-4rxmA:
21.81
3iltE-4rxmA:
21.81
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 LYS A1034
SER B  54
LEU A 179
LEU B  68
ILE A1030
 None
 1.03A 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 PRO A 137
MET A 135
LEU A 141
ILE A 153
SER A 132
 None
 1.27A 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
 0.66A 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) 		5 LYS A 103
PRO A 104
MET A 106
LEU A 235
LEU A 243
 None
 0.94A 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.
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
 0.96A 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
 0.56A 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) 		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
 0.99A 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)
 0.96A 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)
 1.02A 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)
 0.97A 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
 0.81A 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 PRO A 358
SER A 365
LEU A 355
ILE A 335
SER A 361
 None
 1.48A 3iltB-5y0qA:
undetectable
3iltE-5y0qA:
undetectable		 3iltB-5y0qA:
undetectable
3iltE-5y0qA:
undetectable