SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWC_B_SAMB501_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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 GLN A 372
ASP A 363
ASP A 335
THR A 380
 None
 1.25A 3bwcB-1hkkA:
1.4		 3bwcB-1hkkA:
21.12
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 GLN D  33
GLN D 133
ASP D  38
THR D 129
 None
 1.48A 3bwcB-1mhzD:
undetectable		 3bwcB-1mhzD:
21.30
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLN A 241
GLN A 393
ASP A 100
ASP A 122
 None
 1.45A 3bwcB-1w61A:
0.2		 3bwcB-1w61A:
21.04
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 GLN A 374
ASP A 365
ASP A 337
THR A 382
 IPA  A1393 (-3.4A)
None
None
None
 1.21A 3bwcB-1wb0A:
0.3		 3bwcB-1wb0A:
21.21
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLN A  80
ASP A   8
ASP A 241
THR A  95
 None
 1.34A 3bwcB-2f7lA:
1.8		 3bwcB-2f7lA:
22.71
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		4 GLN A 451
GLN A   7
ASP A 434
ASP A 429
 None
None
CA  A2007 (-2.4A)
None
 1.40A 3bwcB-2vc2A:
2.5		 3bwcB-2vc2A:
21.56
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.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 GLN A 374
ASP A 365
ASP A 337
THR A 382
 None
 1.28A 3bwcB-2ybuA:
0.1		 3bwcB-2ybuA:
21.00
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 GLN A 346
GLN A 339
ASP A 353
THR A 330
 None
 1.23A 3bwcB-2ziuA:
undetectable		 3bwcB-2ziuA:
24.14
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 GLN A 413
GLN A1027
ASP A 528
ASP A 521
 None
 1.40A 3bwcB-3aibA:
1.7		 3bwcB-3aibA:
16.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLN A  33
GLN A  54
ASP A 108
ASP A 140
 MTA  A 315 (-3.7A)
MTA  A 315 (-2.4A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
 0.90A 3bwcB-3anxA:
32.0		 3bwcB-3anxA:
34.03
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		4 GLN A 438
GLN A 442
ASP A 496
ASP A 508
 None
NAG  A1310 ( 3.9A)
None
None
 1.40A 3bwcB-3jd8A:
undetectable		 3bwcB-3jd8A:
12.74
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLN A 312
ASP A  72
ASP A  68
THR A 306
 None
 1.39A 3bwcB-3myvA:
undetectable		 3bwcB-3myvA:
20.73
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.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		4 GLN A 108
GLN A  59
ASP A  55
ASP A 101
 SAM  A 400 (-3.4A)
None
SAM  A 400 (-2.8A)
SAM  A 400 (-3.6A)
 1.20A 3bwcB-3tkaA:
13.1		 3bwcB-3tkaA:
25.20
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		4 GLN A 329
GLN A 296
ASP A 336
THR A 300
 None
 1.45A 3bwcB-4cjaA:
undetectable		 3bwcB-4cjaA:
17.89
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.
4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 GLN A 171
GLN A 207
ASP A 235
THR A 210
 SIN  A 403 (-3.6A)
None
None
None
 1.25A 3bwcB-4o94A:
undetectable		 3bwcB-4o94A:
25.28
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.
4ono BETA-2-MICROGLOBULIN
/T-CELL SURFACE
GLYCOPROTEIN
CD1C/T-CELL SURFACE
GLYCOPROTEIN CD1B
CHIMERIC PROTEIN

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		4 GLN A 230
GLN A 242
ASP A 237
ASP A  59
 None
 1.24A 3bwcB-4onoA:
1.5		 3bwcB-4onoA:
21.03
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		4 GLN A  53
GLN A  47
ASP A 242
THR A 105
 None
 1.28A 3bwcB-4r86A:
undetectable		 3bwcB-4r86A:
22.73
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 GLN A 139
GLN A 346
ASP A 122
THR A 349
 None
 1.29A 3bwcB-4rk9A:
undetectable		 3bwcB-4rk9A:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLN A  40
GLN A  64
ASP A 118
ASP A 149
 S4M  A 301 (-3.4A)
S4M  A 301 (-4.2A)
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
 0.30A 3bwcB-4yv2A:
45.6		 3bwcB-4yv2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLN A  64
ASP A 118
ASP A 149
THR A 169
 S4M  A 301 (-4.2A)
S4M  A 301 (-3.0A)
S4M  A 301 (-3.9A)
S4M  A 301 (-4.7A)
 0.86A 3bwcB-4yv2A:
45.6		 3bwcB-4yv2A:
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.
5hns NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		no annotation 4 GLN A 438
GLN A 442
ASP A 496
ASP A 508
 NAG  A 709 (-4.0A)
NAG  A 708 (-3.4A)
None
None
 1.50A 3bwcB-5hnsA:
undetectable		 3bwcB-5hnsA:
22.77
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLN A 468
GLN B 103
ASP B 132
ASP A 382
 None
 1.16A 3bwcB-5ivaA:
undetectable		 3bwcB-5ivaA:
19.09
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLN A 602
GLN A 158
ASP B 111
THR A 170
 None
 1.42A 3bwcB-5ivaA:
undetectable		 3bwcB-5ivaA:
19.09
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.
5k1c WD REPEAT-CONTAINING
PROTEIN 48
WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens;
Homo sapiens) 		PF00400
(WD40)
PF00400
(WD40) 		4 GLN B 242
ASP C 382
ASP C 313
THR C  19
 None
 1.07A 3bwcB-5k1cB:
2.7		 3bwcB-5k1cB:
19.09
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 GLN A 329
GLN A 319
ASP A  29
THR A 521
 None
 1.45A 3bwcB-5n4lA:
undetectable		 3bwcB-5n4lA:
undetectable