SIMILAR PATTERNS OF AMINO ACIDS FOR 3LMY_B_CP6B563_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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		7 ARG A 349
ASP A 378
HIS A 452
ASP A 540
TYR A 669
TRP A 737
GLU A 739
 CBS  A1001 (-3.0A)
CBS  A1001 ( 4.8A)
CBS  A1001 (-4.2A)
CBS  A1001 ( 4.3A)
CBS  A1001 (-4.4A)
CBS  A1001 (-3.8A)
CBS  A1001 (-2.7A)
 1.28A 3lmyB-1c7tA:
36.1		 3lmyB-1c7tA:
21.71
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		11 ARG A 349
HIS A 375
ASP A 378
ASP A 448
HIS A 452
ASP A 539
TRP A 616
TRP A 639
TYR A 669
TRP A 737
GLU A 739
 CBS  A1001 (-3.0A)
None
CBS  A1001 ( 4.8A)
None
CBS  A1001 (-4.2A)
CBS  A1001 (-3.9A)
CBS  A1001 (-3.6A)
CBS  A1001 (-3.5A)
CBS  A1001 (-4.4A)
CBS  A1001 (-3.8A)
CBS  A1001 (-2.7A)
 0.44A 3lmyB-1c7tA:
36.1		 3lmyB-1c7tA:
21.71
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 HIS A 375
ASP A 378
GLU A 739
TYR A 669
TRP A 737
 None
CBS  A1001 ( 4.8A)
CBS  A1001 (-2.7A)
CBS  A1001 (-4.4A)
CBS  A1001 (-3.8A)
 1.34A 3lmyB-1c7tA:
36.1		 3lmyB-1c7tA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		12 ARG A 211
HIS A 237
ASP A 240
ASP A 290
HIS A 294
ASP A 354
GLU A 355
TRP A 405
TRP A 424
TYR A 450
TRP A 489
GLU A 491
 IFG  A 557 (-2.8A)
None
IFG  A 557 ( 4.7A)
None
IFG  A 557 ( 4.3A)
IFG  A 557 (-3.6A)
IFG  A 557 (-3.1A)
IFG  A 557 (-3.3A)
IFG  A 557 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.6A)
IFG  A 557 (-3.2A)
 0.34A 3lmyB-1nowA:
62.6		 3lmyB-1nowA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 HIS A 237
ASP A 240
GLU A 491
TYR A 450
TRP A 489
 None
IFG  A 557 ( 4.7A)
IFG  A 557 (-3.2A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.6A)
 1.39A 3lmyB-1nowA:
62.6		 3lmyB-1nowA:
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.
1yht DSPB

(Aggregatibacter
actinomycetemcomitans) 		PF00728
(Glyco_hydro_20) 		12 ARG A  27
HIS A  53
ASP A  56
ASP A 116
HIS A 120
ASP A 183
GLU A 184
TRP A 216
TRP A 237
TYR A 278
TRP A 330
GLU A 332
 GOL  A 751 (-3.2A)
None
None
None
None
ACY  A 750 (-3.5A)
ACY  A 750 ( 3.8A)
ACY  A 750 (-3.2A)
ACY  A 750 (-3.4A)
ACY  A 750 (-4.6A)
GOL  A 751 ( 4.0A)
GOL  A 751 (-2.9A)
 0.57A 3lmyB-1yhtA:
29.1		 3lmyB-1yhtA:
21.95
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.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		5 HIS A 215
ASP A  21
ASP A  20
HIS A  60
GLU A  66
 None
MG  A 301 (-2.6A)
MG  A 301 (-4.3A)
MG  A 301 (-3.3A)
None
 1.38A 3lmyB-2e67A:
5.9		 3lmyB-2e67A:
20.04
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 ARG X  95
TRP X 267
TRP X 307
TYR X 309
TRP X 374
 None
 0.70A 3lmyB-2epkX:
27.2		 3lmyB-2epkX:
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 HIS X 170
TRP X 267
TRP X 307
TYR X 309
TRP X 374
 None
 0.76A 3lmyB-2epkX:
27.2		 3lmyB-2epkX:
22.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		12 ARG A 178
HIS A 204
ASP A 207
ASP A 258
HIS A 262
ASP A 322
GLU A 323
TRP A 373
TRP A 392
TYR A 421
TRP A 460
GLU A 462
 None
None
None
None
None
SO4  A 708 (-3.9A)
SO4  A 708 (-3.9A)
SO4  A 708 (-3.7A)
SO4  A 708 (-3.2A)
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
None
 0.36A 3lmyB-2gjxA:
56.4		 3lmyB-2gjxA:
56.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 HIS A 204
ASP A 258
TYR A 421
TRP A 460
GLU A 323
 None
None
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
SO4  A 708 (-3.9A)
 1.48A 3lmyB-2gjxA:
56.4		 3lmyB-2gjxA:
56.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 12 ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
GLU I 323
TRP I 373
TRP I 392
TYR I 421
TRP I 460
GLU I 462
 NGT  A  21 (-2.3A)
None
NGT  A  21 (-3.8A)
None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 (-3.0A)
NGT  A  21 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
 0.33A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 5 ASP I 208
HIS I 262
ASP I 322
GLU I 323
TRP I 392
 None
NGT  A  21 (-3.4A)
NGT  A  21 (-3.2A)
NGT  A  21 (-3.4A)
NGT  A  21 ( 4.3A)
 1.32A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 5 HIS I 204
ASP I 207
GLU I 462
TYR I 421
TRP I 460
 None
NGT  A  21 (-3.8A)
NGT  A  21 (-3.0A)
None
NGT  A  21 (-3.7A)
 1.33A 3lmyB-2gk1I:
54.1		 3lmyB-2gk1I:
51.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 12 ARG M 211
HIS M 237
ASP M 240
ASP M 290
HIS M 294
ASP N 354
GLU N 355
TRP N 405
TRP N 424
TYR N 450
TRP N 489
GLU N 491
 None
 0.40A 3lmyB-2gk1M:
19.3		 3lmyB-2gk1M:
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.
2or2 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Bacillus
thuringiensis) 		PF00388
(PI-PLC-X) 		5 ARG A  69
HIS A  32
ASP A  67
ASP A 198
GLU A 117
 None
 1.31A 3lmyB-2or2A:
5.8		 3lmyB-2or2A:
19.73
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.
3l12 PUTATIVE
GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Ruegeria
pomeroyi) 		PF03009
(GDPD) 		5 ARG A  26
ASP A 295
GLU A  49
TRP A 273
GLU A  31
 CL  A 315 (-3.0A)
None
MG  A 313 (-2.6A)
UNL  A 317 ( 4.1A)
None
 1.40A 3lmyB-3l12A:
5.2		 3lmyB-3l12A:
20.93
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		11 ARG A 146
HIS A 172
ASP A 175
ASP A 242
HIS A 246
ASP A 312
GLU A 313
TRP A 362
TYR A 404
TRP A 454
GLU A 456
 GOL  A 565 (-3.3A)
None
None
None
GOL  A 565 (-4.5A)
GOL  A 565 (-4.3A)
GOL  A 565 (-3.2A)
None
None
GOL  A 565 ( 4.5A)
GOL  A 565 ( 4.9A)
 0.43A 3lmyB-3rcnA:
40.1		 3lmyB-3rcnA:
27.40
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		12 ARG A 170
HIS A 196
ASP A 199
ASP A 254
HIS A 258
ASP A 321
GLU A 322
TRP A 352
TRP A 370
TYR A 395
TRP A 441
GLU A 443
 OAN  A2000 (-2.8A)
None
OAN  A2000 ( 4.4A)
None
OAN  A2000 (-4.0A)
OAN  A2000 (-4.0A)
OAN  A2000 (-3.0A)
OAN  A2000 ( 3.9A)
OAN  A2000 (-3.4A)
OAN  A2000 (-4.4A)
OAN  A2000 (-3.7A)
OAN  A2000 (-2.6A)
 0.39A 3lmyB-3sutA:
38.1		 3lmyB-3sutA:
26.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		10 ARG A 220
HIS A 246
ASP A 249
ASP A 299
HIS A 303
ASP A 367
TRP A 424
TYR A 475
TRP A 524
GLU A 526
 TCG  A 601 (-2.7A)
None
TCG  A 601 ( 4.9A)
None
TCG  A 601 (-4.1A)
TCG  A 601 (-3.2A)
None
TCG  A 601 (-4.7A)
TCG  A 601 (-3.8A)
TCG  A 601 (-2.7A)
 0.65A 3lmyB-3vtrA:
39.4		 3lmyB-3vtrA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		10 ARG A 220
HIS A 246
ASP A 249
ASP A 299
HIS A 303
TRP A 424
TRP A 448
TYR A 475
TRP A 524
GLU A 526
 TCG  A 601 (-2.7A)
None
TCG  A 601 ( 4.9A)
None
TCG  A 601 (-4.1A)
None
TCG  A 601 (-4.0A)
TCG  A 601 (-4.7A)
TCG  A 601 (-3.8A)
TCG  A 601 (-2.7A)
 0.55A 3lmyB-3vtrA:
39.4		 3lmyB-3vtrA:
31.55
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		7 ARG A 196
ASP A 226
HIS A 297
ASP A 360
GLU A 361
TRP A 439
TYR A 469
 LOG  A1614 (-2.8A)
None
LOG  A1614 (-4.1A)
LOG  A1614 (-3.9A)
LOG  A1614 (-3.0A)
LOG  A1614 (-3.4A)
LOG  A1614 (-4.3A)
 0.83A 3lmyB-4az7A:
27.3		 3lmyB-4az7A:
21.05
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 ARG A 196
ASP A 226
HIS A 297
GLU A 361
TYR A 482
 LOG  A1614 (-2.8A)
None
LOG  A1614 (-4.1A)
LOG  A1614 (-3.0A)
LOG  A1614 (-4.4A)
 1.44A 3lmyB-4az7A:
27.3		 3lmyB-4az7A:
21.05
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		7 ARG A 196
HIS A 297
ASP A 360
GLU A 361
TRP A 439
TYR A 469
TRP A 517
 LOG  A1614 (-2.8A)
LOG  A1614 (-4.1A)
LOG  A1614 (-3.9A)
LOG  A1614 (-3.0A)
LOG  A1614 (-3.4A)
LOG  A1614 (-4.3A)
LOG  A1614 (-3.8A)
 0.57A 3lmyB-4az7A:
27.3		 3lmyB-4az7A:
21.05
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		7 ARG A 641
ASP A 671
HIS A 742
ASP A 804
GLU A 805
TRP A 872
TYR A 902
 NGW  A2042 (-2.9A)
None
NGW  A2042 (-4.0A)
NGW  A2042 (-3.6A)
NGW  A2042 (-3.2A)
NGW  A2042 (-3.7A)
MG  A2045 ( 4.4A)
 0.88A 3lmyB-4azcA:
27.3		 3lmyB-4azcA:
21.92
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.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		7 ARG A 641
HIS A 742
ASP A 804
GLU A 805
TRP A 872
TYR A 902
TRP A 951
 NGW  A2042 (-2.9A)
NGW  A2042 (-4.0A)
NGW  A2042 (-3.6A)
NGW  A2042 (-3.2A)
NGW  A2042 (-3.7A)
MG  A2045 ( 4.4A)
NGW  A2042 (-3.8A)
 0.56A 3lmyB-4azcA:
27.3		 3lmyB-4azcA:
21.92
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		11 ARG A 150
HIS A 176
ASP A 179
ASP A 234
HIS A 238
ASP A 301
TRP A 332
TRP A 349
TYR A 381
TRP A 430
GLU A 432
 NGO  A1495 (-2.8A)
None
None
None
NGO  A1495 (-4.0A)
NGO  A1495 (-3.8A)
NGO  A1495 (-3.6A)
NGO  A1495 ( 3.4A)
NGO  A1495 (-4.5A)
NGO  A1495 (-3.6A)
NGO  A1495 (-2.7A)
 0.34A 3lmyB-4c7gA:
39.4		 3lmyB-4c7gA:
25.17
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		5 ARG A 158
HIS A 104
ASP A 161
ASP A  59
GLU A  27
 ODV  A 203 (-2.8A)
FE  A 202 ( 3.3A)
FE  A 201 (-2.4A)
ODV  A 203 (-2.3A)
ODV  A 203 (-3.2A)
 1.50A 3lmyB-4mlnA:
undetectable		 3lmyB-4mlnA:
16.01
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		5 ARG A  89
ASP A 298
HIS A 262
GLU A 182
GLU A 131
 None
 1.24A 3lmyB-4obsA:
6.0		 3lmyB-4obsA:
21.84
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		9 ARG A 153
HIS A 179
ASP A 237
HIS A 241
ASP A 303
TRP A 353
TRP A 373
TYR A 402
TRP A 448
 GOL  A 604 (-3.5A)
None
None
GOL  A 603 (-4.2A)
GOL  A 603 (-3.0A)
GOL  A 603 (-3.7A)
GOL  A 603 (-3.6A)
GOL  A 603 ( 4.5A)
GOL  A 604 ( 3.6A)
 0.98A 3lmyB-4pysA:
39.2		 3lmyB-4pysA:
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.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		5 ASP A 158
ASP A 162
GLU A 165
TRP A 216
GLU A  77
 None
None
ACT  A 501 (-4.1A)
None
None
 1.42A 3lmyB-4qt9A:
undetectable		 3lmyB-4qt9A:
23.02
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 5 ASP A 191
ASP A 129
HIS A 189
GLU A 127
GLU A 173
 MG  A 502 ( 3.2A)
MG  A 502 (-2.2A)
None
None
None
 1.50A 3lmyB-4xj6A:
undetectable		 3lmyB-4xj6A:
19.93
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		6 ARG D  94
HIS D 169
TRP D 266
TRP D 306
TYR D 308
TRP D 373
 OAN  D1627 (-2.8A)
OAN  D1627 ( 4.9A)
OAN  D1627 (-3.6A)
OAN  D1627 (-3.6A)
OAN  D1627 (-4.3A)
OAN  D1627 (-3.7A)
 0.70A 3lmyB-5a6bD:
27.3		 3lmyB-5a6bD:
21.40
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 ARG A 164
HIS A 167
ASP A 207
ASP A 311
TYR A 374
 DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
DG3  A2001 (-4.3A)
 1.30A 3lmyB-5ao0A:
undetectable		 3lmyB-5ao0A:
21.79
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		7 HIS A 263
ASP A 320
GLU A 321
TRP A 373
TRP A 394
TYR A 419
TRP A 465
 GAL  A 701 (-3.5A)
GAL  A 701 (-3.0A)
LOG  A 702 (-3.1A)
LOG  A 702 ( 3.9A)
LOG  A 702 (-3.5A)
LOG  A 702 (-4.4A)
LOG  A 702 (-3.8A)
 0.57A 3lmyB-5bxpA:
31.3		 3lmyB-5bxpA:
23.80
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 12 ARG B 193
HIS B 219
ASP B 222
ASP B 271
HIS B 275
ASP B 345
GLU B 346
TRP B 397
TRP B 419
TYR B 445
TRP B 517
GLU B 519
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-4.0A)
NGT  B 707 (-3.9A)
NGT  B 707 (-3.1A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.0A)
 0.48A 3lmyB-5oarB:
43.5		 3lmyB-5oarB:
9.43
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 8 ARG B 193
HIS B 219
ASP B 222
ASP B 271
TRP B 397
TRP B 419
TYR B 445
GLU B 307
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-3.8A)
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.7A)
 1.22A 3lmyB-5oarB:
43.5		 3lmyB-5oarB:
9.43
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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 ARG A 460
ASP A 533
ASP A 536
TYR A 513
GLU A 517
 None
 1.44A 3lmyB-5y5aA:
undetectable		 3lmyB-5y5aA:
10.51