SIMILAR PATTERNS OF AMINO ACIDS FOR 3LMY_A_CP6A562

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) 		8 ARG A 349
ASP A 378
HIS A 452
ASP A 540
TYR A 669
ASP A 671
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 (-3.1A)
CBS  A1001 (-3.8A)
CBS  A1001 (-2.7A)
 1.22A 3lmyA-1c7tA:
36.1		 3lmyA-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 639
TYR A 669
ASP A 671
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 (-3.5A)
CBS  A1001 (-4.4A)
CBS  A1001 (-3.1A)
CBS  A1001 (-3.8A)
CBS  A1001 (-2.7A)
 0.44A 3lmyA-1c7tA:
36.1		 3lmyA-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
TRP A 424
TYR A 450
ASP A 452
LEU A 453
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 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.2A)
None
IFG  A 557 (-3.6A)
IFG  A 557 (-3.2A)
 0.32A 3lmyA-1nowA:
62.9		 3lmyA-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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 HIS A1061
ASP A1062
ASP A 477
LEU A1219
GLU A1081
 None
 1.06A 3lmyA-1ofeA:
4.0		 3lmyA-1ofeA:
16.58
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.
1yht DSPB

(Aggregatibacter
actinomycetemcomitans) 		PF00728
(Glyco_hydro_20) 		10 ARG A  27
HIS A  53
ASP A  56
ASP A 116
HIS A 120
ASP A 183
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 (-3.4A)
ACY  A 750 (-4.6A)
GOL  A 751 ( 4.0A)
GOL  A 751 (-2.9A)
 0.60A 3lmyA-1yhtA:
29.1		 3lmyA-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.
2anu HYPOTHETICAL PROTEIN
TM0559

(Thermotoga
maritima) 		no annotation 5 HIS A  45
ASP A  20
HIS A 195
ASP A 193
LEU A  77
 ZN  A 505 ( 3.4A)
ZN  A 505 (-2.0A)
ZN  A 505 (-3.4A)
ZN  A 605 (-2.4A)
None
 1.48A 3lmyA-2anuA:
4.6		 3lmyA-2anuA:
17.16
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 ARG A  72
HIS A 368
ASP A 336
ASP A 294
LEU A 266
 None
 1.41A 3lmyA-2gfiA:
undetectable		 3lmyA-2gfiA:
22.26
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) 		10 ARG A 178
HIS A 204
ASP A 207
ASP A 258
HIS A 262
ASP A 322
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 (-3.2A)
SO4  A 708 (-4.5A)
SO4  A 708 (-3.9A)
None
 0.25A 3lmyA-2gjxA:
56.5		 3lmyA-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 10 ARG I 178
HIS I 204
ASP I 207
ASP I 258
HIS I 262
ASP I 322
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 ( 4.3A)
None
NGT  A  21 (-3.7A)
NGT  A  21 (-3.0A)
 0.25A 3lmyA-2gk1I:
54.2		 3lmyA-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
TRP N 424
TYR N 450
ASP N 452
LEU N 453
TRP N 489
GLU N 491
 None
 0.35A 3lmyA-2gk1M:
12.6		 3lmyA-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
 1.30A 3lmyA-2or2A:
5.2		 3lmyA-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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 ARG A  93
ASP A 133
HIS A 135
ASP A 137
TYR A 306
 None
None
GLC  A 600 (-4.1A)
GLC  A 600 ( 2.4A)
GLC  A 600 ( 4.5A)
 1.49A 3lmyA-2osyA:
13.5		 3lmyA-2osyA:
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 HIS A   8
ASP A 201
ASP A 227
HIS A 179
LEU A 132
 ZN  A 302 (-3.3A)
None
ZN  A 302 (-2.5A)
ZN  A 301 (-3.2A)
None
 1.43A 3lmyA-3cjpA:
2.6		 3lmyA-3cjpA:
20.39
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A   6
ASP A 258
HIS A 260
ASP A  95
LEU A  43
 FE  A 311 (-3.3A)
FE  A 311 (-2.6A)
ZN  A 301 (-3.4A)
None
None
 1.44A 3lmyA-3dcpA:
4.6		 3lmyA-3dcpA:
19.79
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		5 HIS A 146
ASP A 194
HIS A   7
ASP A  88
LEU A  93
 MN  A 253 (-4.3A)
MN  A 253 (-2.7A)
MN  A 253 (-3.3A)
None
None
 1.44A 3lmyA-3gg7A:
2.5		 3lmyA-3gg7A:
18.72
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.
3iwg ACETYLTRANSFERASE,
GNAT FAMILY

(Colwellia
psychrerythraea) 		PF00583
(Acetyltransf_1) 		5 ARG A 195
ASP A 206
ASP A  29
LEU A 166
GLU A 193
 None
 0.99A 3lmyA-3iwgA:
undetectable		 3lmyA-3iwgA:
19.19
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ARG A 337
ASP A  42
HIS A  41
ASP A 253
GLU A 343
 None
 1.41A 3lmyA-3lv4A:
undetectable		 3lmyA-3lv4A:
21.48
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ASP A 171
HIS A 471
ASP A 470
TYR A 480
LEU A 482
 None
 1.34A 3lmyA-3nzuA:
undetectable		 3lmyA-3nzuA:
19.63
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ARG B 646
HIS B 332
ASP B 364
TYR B 350
LEU B 354
 None
None
CA  B 900 (-2.4A)
None
None
 1.50A 3lmyA-3ohmB:
4.8		 3lmyA-3ohmB:
20.71
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		10 ARG A 146
HIS A 172
ASP A 175
ASP A 242
HIS A 246
ASP A 312
TYR A 404
ASP A 406
TRP A 454
GLU A 456
 GOL  A 565 (-3.3A)
None
None
None
GOL  A 565 (-4.5A)
GOL  A 565 (-4.3A)
None
None
GOL  A 565 ( 4.5A)
GOL  A 565 ( 4.9A)
 0.39A 3lmyA-3rcnA:
40.1		 3lmyA-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.
3sng NUCLEASE

(Solanum
lycopersicum) 		PF02265
(S1-P1_nuclease) 		5 HIS A 157
ASP A 151
HIS A 147
ASP A  70
LEU A 190
 SO4  A 601 ( 3.2A)
ZN  A 402 ( 2.4A)
ZN  A 402 (-3.2A)
ZN  A 402 (-2.9A)
None
 1.34A 3lmyA-3sngA:
undetectable		 3lmyA-3sngA:
20.07
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		11 ARG A 170
HIS A 196
ASP A 199
ASP A 254
HIS A 258
ASP A 321
TRP A 370
TYR A 395
ASP A 397
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 (-3.4A)
OAN  A2000 (-4.4A)
OAN  A2000 (-3.1A)
OAN  A2000 (-3.7A)
OAN  A2000 (-2.6A)
 0.33A 3lmyA-3sutA:
38.0		 3lmyA-3sutA:
26.60
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 HIS A 395
ASP A 396
ASP A 137
LEU A 178
GLU A 326
 GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
GOL  A 720 (-2.6A)
None
TRS  A 700 (-4.2A)
 1.43A 3lmyA-3ucqA:
11.2		 3lmyA-3ucqA:
22.46
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 448
TYR A 475
ASP A 477
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 (-4.0A)
TCG  A 601 (-4.7A)
TCG  A 601 (-3.2A)
TCG  A 601 (-3.8A)
TCG  A 601 (-2.7A)
 0.45A 3lmyA-3vtrA:
39.5		 3lmyA-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) 		9 HIS A 246
ASP A 249
ASP A 299
HIS A 303
ASP A 367
TYR A 475
ASP A 477
TRP A 524
GLU A 526
 None
TCG  A 601 ( 4.9A)
None
TCG  A 601 (-4.1A)
TCG  A 601 (-3.2A)
TCG  A 601 (-4.7A)
TCG  A 601 (-3.2A)
TCG  A 601 (-3.8A)
TCG  A 601 (-2.7A)
 0.53A 3lmyA-3vtrA:
39.5		 3lmyA-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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ARG A 141
ASP A 140
TYR A 117
LEU A 204
GLU A 385
 None
 1.46A 3lmyA-3wkyA:
undetectable		 3lmyA-3wkyA:
23.47
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ASP A 723
ASP A 727
ASP A 253
ASP A 527
GLU A 698
 MG  A1769 ( 3.9A)
MG  A1769 ( 2.5A)
MG  A1767 (-2.4A)
None
None
 1.20A 3lmyA-4a01A:
undetectable		 3lmyA-4a01A:
21.74
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		6 ARG A 196
ASP A 226
HIS A 297
ASP A 360
TRP A 439
TYR A 469
 LOG  A1614 (-2.8A)
None
LOG  A1614 (-4.1A)
LOG  A1614 (-3.9A)
LOG  A1614 (-3.4A)
LOG  A1614 (-4.3A)
 0.81A 3lmyA-4az7A:
27.2		 3lmyA-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) 		6 ARG A 196
HIS A 297
ASP A 360
TRP A 439
TYR A 469
TRP A 517
 LOG  A1614 (-2.8A)
LOG  A1614 (-4.1A)
LOG  A1614 (-3.9A)
LOG  A1614 (-3.4A)
LOG  A1614 (-4.3A)
LOG  A1614 (-3.8A)
 0.50A 3lmyA-4az7A:
27.2		 3lmyA-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) 		6 ARG A 641
ASP A 671
HIS A 742
ASP A 804
TRP A 872
TYR A 902
 NGW  A2042 (-2.9A)
None
NGW  A2042 (-4.0A)
NGW  A2042 (-3.6A)
NGW  A2042 (-3.7A)
MG  A2045 ( 4.4A)
 0.91A 3lmyA-4azcA:
27.2		 3lmyA-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) 		6 ARG A 641
HIS A 742
ASP A 804
TRP A 872
TYR A 902
TRP A 951
 NGW  A2042 (-2.9A)
NGW  A2042 (-4.0A)
NGW  A2042 (-3.6A)
NGW  A2042 (-3.7A)
MG  A2045 ( 4.4A)
NGW  A2042 (-3.8A)
 0.54A 3lmyA-4azcA:
27.2		 3lmyA-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 349
TYR A 381
ASP A 383
TRP A 430
GLU A 432
 NGO  A1495 (-2.8A)
None
None
None
NGO  A1495 (-4.0A)
NGO  A1495 (-3.8A)
NGO  A1495 ( 3.4A)
NGO  A1495 (-4.5A)
NGO  A1495 (-3.0A)
NGO  A1495 (-3.6A)
NGO  A1495 (-2.7A)
 0.36A 3lmyA-4c7gA:
39.3		 3lmyA-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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 HIS A 174
TRP A 349
TYR A 381
ASP A 383
TRP A 430
 None
NGO  A1495 ( 3.4A)
NGO  A1495 (-4.5A)
NGO  A1495 (-3.0A)
NGO  A1495 (-3.6A)
 1.49A 3lmyA-4c7gA:
39.3		 3lmyA-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.
4hva CASPASE-6

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ASP A 112
ASP A  40
HIS A  41
ASP A 205
LEU A 200
 None
 1.33A 3lmyA-4hvaA:
undetectable		 3lmyA-4hvaA:
17.53
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.
4l05 SUPEROXIDE DISMUTASE
[CU-ZN]

(Brucella
abortus) 		PF00080
(Sod_Cu) 		5 HIS A  90
ASP A  75
HIS A  80
LEU A  68
GLU A  51
 ZN  A 203 (-3.1A)
None
None
None
None
 1.10A 3lmyA-4l05A:
undetectable		 3lmyA-4l05A:
16.15
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.
4lns ASPARAGINE
SYNTHETASE A

(Trypanosoma
brucei) 		PF03590
(AsnA) 		5 ARG A 321
ASP A 107
HIS A 113
ASP A 257
LEU A 201
 None
 1.27A 3lmyA-4lnsA:
undetectable		 3lmyA-4lnsA:
20.49
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) 		8 ARG A 153
HIS A 179
ASP A 237
HIS A 241
ASP A 303
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 (-3.6A)
GOL  A 603 ( 4.5A)
GOL  A 604 ( 3.6A)
 0.99A 3lmyA-4pysA:
39.2		 3lmyA-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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 ASP A 651
ASP A 648
ASP A 590
TYR A 335
LEU A 331
 None
 1.30A 3lmyA-4qi4A:
undetectable		 3lmyA-4qi4A:
20.69
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 ARG B 646
HIS B 332
ASP B 364
TYR B 350
LEU B 354
 I3P  B 902 (-3.7A)
I3P  B 902 (-4.1A)
CA  B 901 (-2.0A)
None
None
 1.49A 3lmyA-4qj4B:
4.3		 3lmyA-4qj4B:
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 ASP A  53
HIS A 128
TYR A 251
ASP A 303
LEU A 300
 None
None
CAC  A1574 ( 4.1A)
CAC  A1574 (-3.7A)
None
 1.38A 3lmyA-4v2xA:
12.6		 3lmyA-4v2xA:
23.16
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) 		5 ARG D  94
HIS D 169
TRP D 306
TYR D 308
TRP D 373
 OAN  D1627 (-2.8A)
OAN  D1627 ( 4.9A)
OAN  D1627 (-3.6A)
OAN  D1627 (-4.3A)
OAN  D1627 (-3.7A)
 0.67A 3lmyA-5a6bD:
27.3		 3lmyA-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
LEU A 323
 DG3  A2001 (-3.0A)
FE  A1001 ( 3.6A)
FE  A1001 ( 2.7A)
FE  A1001 ( 2.6A)
None
 1.37A 3lmyA-5ao0A:
undetectable		 3lmyA-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.
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)
 1.28A 3lmyA-5ao0A:
undetectable		 3lmyA-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) 		5 HIS A 263
ASP A 320
TRP A 394
TYR A 419
TRP A 465
 GAL  A 701 (-3.5A)
GAL  A 701 (-3.0A)
LOG  A 702 (-3.5A)
LOG  A 702 (-4.4A)
LOG  A 702 (-3.8A)
 0.49A 3lmyA-5bxpA:
31.4		 3lmyA-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.
5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE

(Rhodococcus
hoagii) 		PF00150
(Cellulase) 		5 ARG A  89
ASP A 129
HIS A 131
ASP A 133
TYR A 293
 None
None
BGC  A 604 (-4.5A)
BGC  A 604 (-2.6A)
18C  A 607 (-4.0A)
 1.49A 3lmyA-5j7zA:
7.1		 3lmyA-5j7zA:
19.70
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 11 ARG B 193
HIS B 219
ASP B 222
ASP B 271
HIS B 275
ASP B 345
TRP B 419
TYR B 445
ASP B 447
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 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.4A)
NGT  B 707 (-3.8A)
NGT  B 707 (-3.0A)
 0.40A 3lmyA-5oarB:
43.7		 3lmyA-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 7 ARG B 193
HIS B 219
ASP B 222
ASP B 271
TRP B 419
TYR B 445
GLU B 307
 NGT  B 707 (-3.0A)
None
NGT  B 707 ( 4.7A)
None
NGT  B 707 (-3.6A)
NGT  B 707 (-4.6A)
NGT  B 707 (-3.7A)
 1.31A 3lmyA-5oarB:
43.7		 3lmyA-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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Homo sapiens) 		PF01370
(Epimerase) 		5 ARG J 321
HIS J 169
ASP J 326
ASP J 211
LEU J 214
 None
NDP  J 401 (-3.9A)
None
NDP  J 401 ( 4.0A)
None
 1.45A 3lmyA-5xtdJ:
undetectable		 3lmyA-5xtdJ:
21.36
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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 ARG A 460
ASP A 533
ASP A 536
TYR A 513
GLU A 517
 None
 1.47A 3lmyA-5y5aA:
undetectable		 3lmyA-5y5aA:
10.51