SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQE_D_NMYD600_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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 ASP A  58
TYR A 707
GLU A 709
GLU A 427
GLU A 398
 SOR  A4000 ( 4.4A)
None
None
MG  A3001 ( 2.6A)
None
 1.47A 5iqeD-1d8cA:
0.0		 5iqeD-1d8cA:
16.14
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER N 182
ASP N 185
SER N 160
GLU N 174
GLU N 128
 None
 1.18A 5iqeD-1nmbN:
undetectable		 5iqeD-1nmbN:
21.97
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 ASP A   7
SER A 238
ASN A 240
GLU A 206
GLU A 122
 PO4  A 900 ( 2.6A)
CA  A 903 (-2.5A)
PO4  A 900 (-3.6A)
None
None
 1.27A 5iqeD-1nrwA:
0.0		 5iqeD-1nrwA:
22.12
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 SER A 377
ASN A 292
GLU A 252
GLU A 168
GLU A 301
 None
NAD  A1002 ( 4.9A)
None
None
None
 1.45A 5iqeD-1vrqA:
0.2		 5iqeD-1vrqA:
14.67
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 ASP A 256
SER A 253
ASP A 220
GLU A 108
GLU A 325
 MG  A 400 (-2.6A)
None
MG  A 400 (-2.7A)
None
MG  A 401 (-3.4A)
 1.26A 5iqeD-1xfiA:
undetectable		 5iqeD-1xfiA:
22.14
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 SER A   7
ASN A  10
ASP A 480
GLU A   9
TYR A 470
 None
 1.18A 5iqeD-2f2aA:
0.0		 5iqeD-2f2aA:
19.88
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 ASP A  58
TYR A 709
GLU A 711
GLU A 434
GLU A 405
 None
None
None
MG  A1000 ( 2.7A)
None
 1.45A 5iqeD-2gq3A:
0.1		 5iqeD-2gq3A:
17.28
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 SER A 456
ASN A 399
GLU A 288
GLU A 331
GLU A 381
 246  A1536 (-3.3A)
246  A1536 (-3.4A)
None
None
246  A1536 (-3.3A)
 1.33A 5iqeD-2qpmA:
0.0		 5iqeD-2qpmA:
17.33
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.27A 5iqeD-2v84A:
0.0		 5iqeD-2v84A:
20.22
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		6 ASP A 315
ASP A 141
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.40A 5iqeD-3a2fA:
1.4		 5iqeD-3a2fA:
18.09
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 ZMR  A 469 ( 4.6A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.5A)
 1.45A 5iqeD-3ckzA:
undetectable		 5iqeD-3ckzA:
21.52
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 LNV  A 901 ( 4.6A)
None
LNV  A 901 (-3.6A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-3.4A)
 1.46A 5iqeD-3ti8A:
undetectable		 5iqeD-3ti8A:
22.33
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.
3tsr RIBONUCLEASE
INHIBITOR

(Mus musculus) 		PF13516
(LRR_6) 		5 GLU E 340
SER E 312
GLU E 283
GLU E 311
GLU E 369
 None
 1.30A 5iqeD-3tsrE:
undetectable		 5iqeD-3tsrE:
18.97
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 130
ASN A 128
ASP A 174
TYR A 131
SER A  71
 None
 1.09A 5iqeD-3wpeA:
undetectable		 5iqeD-3wpeA:
14.90
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 SER A 177
ASP A 196
GLU A 116
GLU A 275
GLU A 225
 ZMR  A 700 ( 4.6A)
None
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.5A)
 1.49A 5iqeD-4cpnA:
0.0		 5iqeD-4cpnA:
21.61
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.32A 5iqeD-4flxA:
2.5		 5iqeD-4flxA:
17.25
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 ASP A 246
SER A 222
ASN A  42
ASP A 250
GLU A  38
 None
 1.50A 5iqeD-4h4cA:
undetectable		 5iqeD-4h4cA:
24.18
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 SER B 283
ASN B 285
ASP B 364
TYR B 394
GLU B 350
 None
 1.28A 5iqeD-4hxeB:
undetectable		 5iqeD-4hxeB:
19.81
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.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 G39  A 509 ( 4.5A)
None
G39  A 509 (-3.3A)
G39  A 509 ( 4.0A)
None
 1.47A 5iqeD-4hzzA:
undetectable		 5iqeD-4hzzA:
22.03
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 ASP A 391
SER A 408
ASN A 406
TYR A 455
SER A 453
 None
 1.46A 5iqeD-4qfuA:
1.2		 5iqeD-4qfuA:
22.18
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 ASP A  51
SER A  81
ASP A  50
GLU A 134
TYR A 268
 None
 1.33A 5iqeD-4qwvA:
undetectable		 5iqeD-4qwvA:
22.79
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 ASP A  42
SER A 130
GLU A  88
SER A  86
GLU A  35
 None
 1.29A 5iqeD-4r27A:
undetectable		 5iqeD-4r27A:
20.28
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 ASP A 283
SER A 309
TYR A 310
SER A 339
TYR A 323
 None
 1.48A 5iqeD-4rl3A:
undetectable		 5iqeD-4rl3A:
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.
4yci BONE MORPHOGENETIC
PROTEIN 9 GROWTH
FACTOR DOMAIN

(Mus musculus) 		PF00688
(TGFb_propeptide) 		5 SER A 115
GLU A 120
SER A 235
GLU A 244
GLU A 251
 NAG  A 301 ( 3.8A)
ZN  A 303 (-2.7A)
None
ZN  A 303 (-1.6A)
None
 1.50A 5iqeD-4yciA:
undetectable		 5iqeD-4yciA:
21.87
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.
5bv5 CYTOCHROME P450 119

(Sulfolobus
solfataricus) 		PF00067
(p450) 		5 ASP A 224
SER A 251
ASN A 355
TYR A 250
GLU A 296
 None
 1.28A 5iqeD-5bv5A:
1.8		 5iqeD-5bv5A:
23.77
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 147
SER A 145
ASP A 305
TYR A 300
GLU A 255
 ZN  A 902 (-1.8A)
None
ZN  A 901 (-2.2A)
None
None
 1.16A 5iqeD-5gz4A:
undetectable		 5iqeD-5gz4A:
16.73
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASP A 326
ASP A 327
TYR A 413
SER A 479
GLU A 494
 None
 1.18A 5iqeD-5i68A:
undetectable		 5iqeD-5i68A:
18.05
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.
5lz6 3A
GOLGI RESIDENT
PROTEIN GCP60

(Aichivirus B;
Homo sapiens) 		PF13897
(GOLD_2)
no annotation 		5 SER B  13
ASP B  16
TYR A 525
SER A 393
GLU B  22
 None
 1.49A 5iqeD-5lz6B:
undetectable		 5iqeD-5lz6B:
11.52
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A  58
TYR A 707
GLU A 709
GLU A 432
GLU A 403
 GOL  A 804 ( 4.6A)
None
None
MG  A 820 ( 2.7A)
None
 1.44A 5iqeD-5oasA:
undetectable		 5iqeD-5oasA:
16.25
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.
5t58 KLLA0F02343P

(Kluyveromyces
lactis) 		PF05859
(Mis12) 		5 ASN A  40
TYR A  36
GLU A  73
SER A  70
GLU A  69
 None
 1.45A 5iqeD-5t58A:
2.5		 5iqeD-5t58A:
26.71
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 ASP A  39
SER A  37
ASP A 199
TYR A 194
SER A 139
 ZN  A 501 (-2.0A)
None
ZN  A 502 (-2.3A)
None
None
 1.19A 5iqeD-5udyA:
undetectable		 5iqeD-5udyA:
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ASP A 465
SER A 505
ASN A 556
GLU A 548
GLU A 555
 None
 1.30A 5iqeD-5ve8A:
0.0		 5iqeD-5ve8A:
15.85
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 SER A 131
ASN A 129
ASP A 175
TYR A 132
SER A  72
 None
 1.05A 5iqeD-5y3jA:
undetectable		 5iqeD-5y3jA:
11.26
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 131
ASN A 129
ASP A 175
TYR A 132
SER A  72
 None
 1.10A 5iqeD-5zlnA:
undetectable		 5iqeD-5zlnA:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 ASP A 374
SER A 376
ASN A 378
ASP A 396
TYR A 408
GLU A 411
SER A 413
GLU A 416
GLU A 445
 GNP  A 500 (-4.6A)
None
None
MG  A 702 ( 4.8A)
None
None
None
None
None
 0.54A 5iqeD-6ceyA:
41.9		 5iqeD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 10 ASP A 374
SER A 376
ASN A 378
ASP A 396
TYR A 408
GLU A 411
SER A 413
GLU A 416
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
None
MG  A 702 ( 4.8A)
None
None
None
None
None
None
 0.60A 5iqeD-6ceyA:
41.9		 5iqeD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
GLU A 445
 None
 0.95A 5iqeD-6ceyA:
41.9		 5iqeD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
TYR A 448
 None
 1.07A 5iqeD-6ceyA:
41.9		 5iqeD-6ceyA:
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.
6f2t -

(-) 		no annotation 5 ASP A 168
SER A 166
ASP A 326
TYR A 321
SER A 269
 ZN  A1002 (-2.0A)
None
ZN  A1003 ( 2.1A)
None
None
 1.22A 5iqeD-6f2tA:
undetectable		 5iqeD-6f2tA:
undetectable