SIMILAR PATTERNS OF AMINO ACIDS FOR 1S1U_A_NVPA999

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.
1czf POLYGALACTURONASE II

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 ILE A 275
VAL A 344
GLY A 284
LEU A 225
TYR A 272
 None
 1.27A 1s1uA-1czfA:
0.0		 1s1uA-1czfA:
20.94
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.
1del DEOXYNUCLEOSIDE
MONOPHOSPHATE KINASE

(Escherichia
virus T4) 		no annotation 5 ILE A 143
VAL A  99
GLY A  98
LEU A  90
TYR A 151
 None
 1.29A 1s1uA-1delA:
undetectable		 1s1uA-1delA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		5 VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
 None
 0.52A 1s1uA-1harA:
26.5		 1s1uA-1harA:
93.98
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		5 LYS A   1
VAL A 285
TYR A   6
GLY A 284
LEU A   5
 None
 1.33A 1s1uA-1iubA:
undetectable		 1s1uA-1iubA:
20.50
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.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ILE A 258
VAL A 239
VAL A 276
GLY A 241
TYR A 257
 None
 1.24A 1s1uA-1kkrA:
0.0		 1s1uA-1kkrA:
20.90
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ILE A 247
VAL A 262
TRP A 224
LEU A 221
TYR A 250
 None
 1.49A 1s1uA-1obbA:
0.4		 1s1uA-1obbA:
22.42
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.
1tty RNA POLYMERASE SIGMA
FACTOR RPOD

(Thermotoga
maritima) 		PF04545
(Sigma70_r4) 		5 ILE A 370
VAL A 356
VAL A 362
GLY A 357
LEU A 339
 None
 1.24A 1s1uA-1ttyA:
undetectable		 1s1uA-1ttyA:
11.11
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 ILE A 476
LYS A 499
VAL A 555
GLY A 501
LEU A 495
 None
 1.40A 1s1uA-1u2zA:
undetectable		 1s1uA-1u2zA:
21.53
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 143
VAL A  95
TYR A  81
GLY A  79
LEU A 132
 None
 1.29A 1s1uA-1w78A:
0.7		 1s1uA-1w78A:
20.21
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.
1weh CONSERVED
HYPOTHETICAL PROTEIN
TT1887

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		5 VAL A  52
VAL A  23
TYR A  25
GLY A  51
LEU A   4
 None
 1.41A 1s1uA-1wehA:
undetectable		 1s1uA-1wehA:
14.29
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.
1wjj HYPOTHETICAL PROTEIN
F20O9.120

(Arabidopsis
thaliana) 		no annotation 5 ILE A  68
VAL A  19
VAL A 127
GLY A  73
LEU A 109
 None
 1.38A 1s1uA-1wjjA:
undetectable		 1s1uA-1wjjA:
13.87
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.
1wm9 GTP CYCLOHYDROLASE I

(Thermus
thermophilus) 		PF01227
(GTP_cyclohydroI) 		5 ILE A 138
VAL A  99
VAL A 171
TYR A 123
LEU A 130
 None
 1.40A 1s1uA-1wm9A:
undetectable		 1s1uA-1wm9A:
18.28
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.
1ytu HYPOTHETICAL PROTEIN
AF1318

(Archaeoglobus
fulgidus) 		PF02171
(Piwi) 		5 ILE A 371
LYS A 315
VAL A   7
GLY A 313
LEU A 346
 None
 1.25A 1s1uA-1ytuA:
2.5		 1s1uA-1ytuA:
22.11
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.
2ee2 CONTACTIN-1

(Homo sapiens) 		PF00041
(fn3) 		5 ILE A  52
VAL A  27
VAL A  25
GLY A  26
LEU A  78
 None
 1.37A 1s1uA-2ee2A:
undetectable		 1s1uA-2ee2A:
10.81
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 332
VAL A 372
VAL A 326
GLY A 324
LEU A 337
 None
 1.34A 1s1uA-2haeA:
undetectable		 1s1uA-2haeA:
21.50
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		5 ILE A 261
VAL A 268
TYR A 235
GLY A 244
LEU A 252
 None
 1.34A 1s1uA-2hj9A:
undetectable		 1s1uA-2hj9A:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		9 LYS A 103
VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
TRP A 229
LEU A 234
TYR A 318
 None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.77A 1s1uA-2hnzA:
41.1		 1s1uA-2hnzA:
99.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LYS A 103
VAL A 179
TYR A 181
GLY A 190
TYR A 318
 None
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.3A)
 1.35A 1s1uA-2hnzA:
41.1		 1s1uA-2hnzA:
99.07
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		5 ILE A 273
VAL A 342
GLY A 282
LEU A 223
TYR A 270
 None
 1.23A 1s1uA-2iq7A:
undetectable		 1s1uA-2iq7A:
18.62
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 ILE A  30
VAL A 106
VAL A 278
GLY A 280
TRP A  25
 None
 1.25A 1s1uA-2iy9A:
1.5		 1s1uA-2iy9A:
21.19
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.
3asm RIBONUCLEASE HIII

(Geobacillus
stearothermophilus) 		PF01351
(RNase_HII)
PF11858
(DUF3378) 		5 ILE A 201
LYS A 176
VAL A 110
LEU A 184
TYR A 210
 None
 1.19A 1s1uA-3asmA:
2.7		 1s1uA-3asmA:
20.36
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 ILE B 259
LYS B 269
TYR B 273
GLY B 270
TRP A  69
 F3S  B 308 (-4.4A)
None
None
None
None
 1.40A 1s1uA-3ayxB:
undetectable		 1s1uA-3ayxB:
17.05
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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		5 ILE B 151
VAL B  97
VAL B  45
GLY B  98
LEU B  21
 None
 1.43A 1s1uA-3hzhB:
undetectable		 1s1uA-3hzhB:
15.23
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.
3laj ARGININE REPRESSOR

(Mycobacterium
tuberculosis) 		PF01316
(Arg_repressor)
PF02863
(Arg_repressor_C) 		5 ILE A  25
VAL A  80
TYR A  78
GLY A  64
LEU A  56
 None
 1.23A 1s1uA-3lajA:
undetectable		 1s1uA-3lajA:
14.92
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ILE A 132
VAL A 283
VAL A  42
GLY A 123
TYR A 236
 None
 1.38A 1s1uA-3nipA:
undetectable		 1s1uA-3nipA:
19.76
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ILE B 412
VAL B 444
TYR B 409
GLY B 402
LEU B 565
 None
 1.13A 1s1uA-3o8oB:
undetectable		 1s1uA-3o8oB:
21.75
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.
3p2n 3,6-ANHYDRO-ALPHA-L-
GALACTOSIDASE

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		5 ILE A 255
VAL A 201
TYR A 186
LEU A 203
TYR A 296
 None
 1.41A 1s1uA-3p2nA:
undetectable		 1s1uA-3p2nA:
23.10
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 ILE A 726
VAL A 701
TYR A 699
GLY A 641
LEU A 627
 None
 1.39A 1s1uA-3texA:
undetectable		 1s1uA-3texA:
21.43
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 ILE D 485
VAL D 271
TYR D 269
GLY D 160
LEU D 347
 None
 1.19A 1s1uA-4em6D:
undetectable		 1s1uA-4em6D:
21.75
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.
4g6d RNA POLYMERASE SIGMA
FACTOR RPOD

(Staphylococcus
aureus) 		PF04545
(Sigma70_r4) 		5 ILE A 588
VAL A 574
VAL A 580
GLY A 575
LEU A 557
 None
 1.40A 1s1uA-4g6dA:
undetectable		 1s1uA-4g6dA:
9.14
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.
4hsb PROBABLE
DNA-3-METHYLADENINE
GLYCOSYLASE 2

(Schizosaccharomyces
pombe) 		PF00730
(HhH-GPD) 		5 ILE A 197
VAL A  25
GLY A  29
LEU A  33
TYR A   7
 None
 0.98A 1s1uA-4hsbA:
undetectable		 1s1uA-4hsbA:
17.58
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ILE A 311
TYR A 363
GLY A 323
LEU A 269
TYR A 284
 None
 1.42A 1s1uA-4o8aA:
undetectable		 1s1uA-4o8aA:
22.32
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 5 ILE B  74
LYS B 127
VAL B 174
TYR B  76
LEU B  62
 None
 1.49A 1s1uA-4w5uB:
undetectable		 1s1uA-4w5uB:
19.43
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.
4xb0 SERINE/THREONINE-PRO
TEIN KINASE PLK2

(Homo sapiens) 		PF00659
(POLO_box) 		5 VAL A 527
VAL A 508
TYR A 510
TYR A 514
GLY A 517
 None
 1.41A 1s1uA-4xb0A:
undetectable		 1s1uA-4xb0A:
17.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		6 LYS B 103
VAL B 106
VAL B 179
TYR B 181
TYR B 188
GLY B 190
 None
 0.59A 1s1uA-5c24B:
14.2		 1s1uA-5c24B:
96.46
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.
5f9q MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN YKNZ

(Bacillus
amyloliquefaciens) 		PF12704
(MacB_PCD) 		5 ILE A  77
VAL A 142
VAL A 162
GLY A 112
LEU A 122
 None
 1.48A 1s1uA-5f9qA:
4.3		 1s1uA-5f9qA:
17.24
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.
5ks1 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Vibrio
vulnificus) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ILE A 280
LYS A  19
VAL A 294
GLY A 293
LEU A 284
 None
 1.46A 1s1uA-5ks1A:
undetectable		 1s1uA-5ks1A:
21.02
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 ILE A 438
VAL A 322
VAL A 436
GLY A 323
LEU A 309
 None
 1.44A 1s1uA-5nitA:
undetectable		 1s1uA-5nitA:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LYS B 102
VAL B 105
TYR B 180
TYR B 187
GLY B 189
 None
 0.51A 1s1uA-5ovnB:
9.6		 1s1uA-5ovnB:
59.76
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.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		5 ILE A 275
VAL A  35
VAL A  46
TYR A  48
LEU A  25
 None
 1.34A 1s1uA-5vpqA:
undetectable		 1s1uA-5vpqA:
18.20
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 ILE A  82
VAL A  48
TYR A 406
GLY A 402
TYR A  72
 None
 1.48A 1s1uA-5x7nA:
undetectable		 1s1uA-5x7nA:
8.84
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 ILE A 285
VAL A  46
VAL A  57
TYR A  60
LEU A  36
 None
 1.39A 1s1uA-6bu3A:
undetectable		 1s1uA-6bu3A:
9.91
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A1036
VAL A1015
VAL A1090
GLY A1039
TYR A1057
 None
 1.28A 1s1uA-6eojA:
undetectable		 1s1uA-6eojA:
18.23
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 VAL I 236
TYR I 234
TYR I 261
GLY I 279
TYR I   9
 None
 1.17A 1s1uA-6esqI:
undetectable		 1s1uA-6esqI:
9.54