SIMILAR PATTERNS OF AMINO ACIDS FOR 2YA7_B_ZMRB1776_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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  35
ASP A  51
ASP A  96
ARG A 245
ARG A 314
TYR A 342
 DAN  A 700 (-3.0A)
None
DAN  A 700 (-3.3A)
DAN  A 700 (-2.8A)
DAN  A 700 (-3.0A)
DAN  A 700 (-3.5A)
 0.97A 2ya7B-1ms8A:
39.9		 2ya7B-1ms8A:
24.70
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		7 ARG A  36
ILE A  37
ASP A  52
ASP A  97
ARG A 246
ARG A 315
TYR A 343
 None
 0.45A 2ya7B-1mz5A:
40.3		 2ya7B-1mz5A:
23.11
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		6 ARG A  36
ILE A  37
ASP A  52
ILE A  64
ARG A 315
TYR A 343
 None
 1.38A 2ya7B-1mz5A:
40.3		 2ya7B-1mz5A:
23.11
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		7 ARG A  68
ILE A  69
ASP A  85
ASP A 131
ARG A 276
ARG A 342
TYR A 370
 CIT  A1649 ( 2.6A)
None
None
GOL  A1650 (-2.7A)
CIT  A1649 ( 2.7A)
CIT  A1649 ( 2.9A)
CIT  A1649 (-4.5A)
 0.39A 2ya7B-1w8oA:
47.3		 2ya7B-1w8oA:
24.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 266
ILE A 267
ASP A 283
ILE A 297
ARG A 615
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
None
None
SIA  A1692 (-3.1A)
 1.38A 2ya7B-2bf6A:
56.7		 2ya7B-2bf6A:
43.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		10 ARG A 266
ILE A 267
ASP A 283
ILE A 327
ASP A 328
TYR A 485
GLN A 493
ARG A 555
ARG A 615
TYR A 655
 SIA  A1692 (-2.7A)
SIA  A1692 (-4.5A)
None
SIA  A1692 (-4.5A)
SIA  A1692 (-2.9A)
SIA  A1692 (-4.7A)
SIA  A1692 (-3.0A)
SIA  A1692 (-2.9A)
SIA  A1692 (-3.1A)
SIA  A1692 (-4.2A)
 0.36A 2ya7B-2bf6A:
56.7		 2ya7B-2bf6A:
43.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 ARG A 285
ILE A 267
ASP A 328
TYR A 485
GLN A 493
 SIA  A1692 (-3.6A)
SIA  A1692 (-4.5A)
SIA  A1692 (-2.9A)
SIA  A1692 (-4.7A)
SIA  A1692 (-3.0A)
 1.20A 2ya7B-2bf6A:
56.7		 2ya7B-2bf6A:
43.11
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		6 ARG A  21
ILE A  22
TYR A 179
ARG A 237
ARG A 304
TYR A 334
 None
 0.42A 2ya7B-2f28A:
42.8		 2ya7B-2f28A:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		11 ARG A 347
ILE A 348
ASP A 364
ILE A 416
ASP A 417
ASP A 434
TYR A 590
GLN A 602
ARG A 663
ARG A 721
TYR A 752
 None
 0.24A 2ya7B-2w20A:
67.7		 2ya7B-2w20A:
94.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		6 ARG A 366
ILE A 348
ASP A 417
PHE A 443
TYR A 590
GLN A 602
 None
 1.47A 2ya7B-2w20A:
67.7		 2ya7B-2w20A:
94.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		8 ILE A 348
ASP A 364
ILE A 416
ASP A 417
ASP A 434
PHE A 443
TYR A 590
GLN A 602
 None
 0.68A 2ya7B-2w20A:
67.7		 2ya7B-2w20A:
94.72
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 ASP A  79
TYR A 146
ARG A 198
ARG A 260
TYR A 297
 None
 0.72A 2ya7B-2w38A:
33.3		 2ya7B-2w38A:
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 0.31A 2ya7B-2xziA:
41.0		 2ya7B-2xziA:
26.09
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ARG A  59
ILE A  60
ILE A  88
ARG A 322
TYR A 358
 KDM  A 500 (-2.7A)
None
None
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
 1.18A 2ya7B-2xziA:
41.0		 2ya7B-2xziA:
26.09
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 238
TYR A 293
GLN A 513
ARG A 567
TYR A 604
 None
 1.32A 2ya7B-3eb7A:
undetectable		 2ya7B-3eb7A:
21.91
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		7 ARG A  37
ILE A  38
ASP A  54
ASP A 100
ARG A 246
ARG A 309
TYR A 342
 PO4  A 499 (-2.7A)
None
None
GOL  A 403 (-3.4A)
PO4  A 499 (-2.7A)
PO4  A 499 (-3.0A)
PO4  A 499 (-4.6A)
 0.44A 2ya7B-3silA:
40.0		 2ya7B-3silA:
25.93
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 204
ILE A 205
ASP A 221
ASP A 272
ARG A 415
ARG A 479
TYR A 510
 None
 0.49A 2ya7B-4bbwA:
45.5		 2ya7B-4bbwA:
26.94
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.
4e0t CYCLIC DIPEPTIDE
N-PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 ARG A 284
ASP A 276
ASP A 210
TYR A 431
GLN A 122
 None
None
None
CL  A 606 (-4.9A)
None
 1.34A 2ya7B-4e0tA:
undetectable		 2ya7B-4e0tA:
22.97
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		7 ARG A 200
ILE A 201
ASP A 217
ASP A 268
ARG A 411
ARG A 475
TYR A 506
 PO4  A 607 ( 2.6A)
None
None
None
PO4  A 607 (-2.7A)
PO4  A 607 (-2.8A)
PO4  A 607 (-4.6A)
 0.34A 2ya7B-4fj6A:
46.0		 2ya7B-4fj6A:
24.00
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		6 ARG A 174
ILE A 175
TYR A 317
ARG A 416
ARG A 498
TYR A 526
 None
 0.95A 2ya7B-4fzhA:
4.0		 2ya7B-4fzhA:
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.
4i3c BILIRUBIN-INDUCIBLE
FLUORESCENT PROTEIN
UNAG

(Anguilla
japonica) 		PF00061
(Lipocalin) 		5 ILE A  24
ASP A  81
GLN A  57
ARG A 112
TYR A  99
 None
None
BLR  A 200 (-2.7A)
BLR  A 200 (-3.6A)
BLR  A 200 ( 4.4A)
 1.45A 2ya7B-4i3cA:
undetectable		 2ya7B-4i3cA:
15.04
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 6 ARG D 163
ILE D 164
TYR D 306
ARG D 405
ARG D 495
TYR D 523
 SO4  D 608 ( 4.1A)
None
None
SO4  D 608 (-2.6A)
SO4  D 608 (-3.3A)
None
 0.71A 2ya7B-4jf7D:
12.7		 2ya7B-4jf7D:
20.95
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A  96
ASP A 107
ASP A  95
TYR A 344
GLN A 212
 None
 1.41A 2ya7B-4lnfA:
undetectable		 2ya7B-4lnfA:
23.32
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.
4phs PUTATIVE
GLYCOSYLTRANSFERASE
(GALT1)

(Streptococcus
parasanguinis) 		PF08759
(GT-D) 		5 ASP A 252
ILE A 255
TYR A 263
GLN A 264
ARG A 270
 None
 1.36A 2ya7B-4phsA:
undetectable		 2ya7B-4phsA:
20.91
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		7 ARG A 220
ILE A 221
ASP A 237
ASP A 288
ARG A 431
ARG A 495
TYR A 526
 EDO  A 604 (-4.0A)
None
None
EDO  A 607 (-3.1A)
None
None
None
 0.33A 2ya7B-4q6kA:
45.7		 2ya7B-4q6kA:
25.39
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 293
ILE A 294
ASP A 310
ILE A 323
ARG A 673
 CNP  A 760 (-3.0A)
CNP  A 760 (-4.5A)
None
None
CNP  A 760 (-3.0A)
 1.25A 2ya7B-4sliA:
45.8		 2ya7B-4sliA:
25.88
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 293
ILE A 294
ASP A 310
ILE A 374
ASP A 375
ASP A 392
TYR A 561
ARG A 611
ARG A 673
TYR A 713
 CNP  A 760 (-3.0A)
CNP  A 760 (-4.5A)
None
CNP  A 760 ( 4.4A)
CNP  A 760 (-2.8A)
CNP  A 760 (-4.4A)
None
CNP  A 760 (-3.0A)
CNP  A 760 (-3.0A)
CNP  A 760 (-4.0A)
 0.41A 2ya7B-4sliA:
45.8		 2ya7B-4sliA:
25.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 ARG A 257
ILE A 258
ASP A 274
ILE A 287
ARG A 637
 3XR  A 802 (-3.0A)
None
None
None
3XR  A 802 (-3.0A)
 1.43A 2ya7B-4x6kA:
40.6		 2ya7B-4x6kA:
31.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		10 ARG A 257
ILE A 258
ASP A 274
ILE A 338
ASP A 339
ASP A 356
TYR A 525
ARG A 575
ARG A 637
TYR A 677
 3XR  A 802 (-3.0A)
None
None
3XR  A 802 (-4.2A)
3XR  A 802 (-2.8A)
3XR  A 802 (-4.6A)
None
3XR  A 802 (-2.6A)
3XR  A 802 (-3.0A)
3XR  A 802 (-4.2A)
 0.34A 2ya7B-4x6kA:
40.6		 2ya7B-4x6kA:
31.27
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 290
ILE A 291
ASP A 307
ILE A 320
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
None
None
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 1.31A 2ya7B-4yw5A:
42.6		 2ya7B-4yw5A:
24.11
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		10 ARG A 290
ILE A 291
ASP A 307
ILE A 371
ASP A 372
ASP A 388
TYR A 553
ARG A 600
ARG A 662
TYR A 695
 G39  A 801 (-2.6A)
None
None
None
G39  A 801 (-2.6A)
G39  A 801 ( 4.8A)
None
G39  A 801 (-2.9A)
G39  A 801 (-2.9A)
G39  A 801 (-4.4A)
 0.36A 2ya7B-4yw5A:
42.6		 2ya7B-4yw5A:
24.11
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		6 ARG A 290
ILE A 291
ASP A 307
ILE A 371
ASP A 388
PHE A 316
 G39  A 801 (-2.6A)
None
None
None
G39  A 801 ( 4.8A)
GOL  A 802 (-4.9A)
 0.78A 2ya7B-4yw5A:
42.6		 2ya7B-4yw5A:
24.11
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.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		6 ARG A 180
ILE A 181
TYR A 323
ARG A 422
ARG A 512
TYR A 540
 SLT  A 606 (-2.6A)
None
SLT  A 606 (-4.6A)
SLT  A 606 (-3.0A)
SLT  A 606 (-2.8A)
SLT  A 606 (-4.7A)
 0.61A 2ya7B-5b2dA:
26.7		 2ya7B-5b2dA:
22.69
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.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ILE A 303
ILE A 306
ASP A 334
PHE A 294
GLN A  27
 None
 1.44A 2ya7B-5fsrA:
undetectable		 2ya7B-5fsrA:
23.69
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.
6ccb GLYCOPROTEIN 120

(Human
immunodeficiency
virus 1) 		no annotation 5 ARG C 298
ILE C 420
ASP C 180
TYR C 435
GLN C 203
 None
 1.46A 2ya7B-6ccbC:
undetectable		 2ya7B-6ccbC:
10.78
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 6 ARG A 250
ILE A 251
ASP A 318
ARG A 661
ARG A 738
TYR A 766
 G39  A 908 (-2.8A)
G39  A 908 (-4.7A)
G39  A 908 ( 4.2A)
G39  A 908 (-2.8A)
G39  A 908 (-3.0A)
G39  A 908 (-4.6A)
 0.86A 2ya7B-6eksA:
43.0		 2ya7B-6eksA:
22.19