SIMILAR PATTERNS OF AMINO ACIDS FOR 5CSY_B_ACRB601

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE


(Hordeum vulgare)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 ARG A 177
ASP A 179
GLU A 204
HIS A 288
ASP A 289
None
0.31A 5csyB-1amyA:
4.8
5csyB-1amyA:
21.13
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 373
ASP A 375
GLU A 435
HIS A 509
ASP A 510
None
0.48A 5csyB-1bf2A:
12.7
5csyB-1bf2A:
20.59
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG B 229
ASP B 231
GLU B 261
HIS B 327
ASP B 328
None
0.56A 5csyB-1bplB:
6.0
5csyB-1bplB:
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 229
ASP A 231
GLU A 261
HIS A 327
ASP A 328
None
0.48A 5csyB-1e43A:
6.0
5csyB-1e43A:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
thermophilus)
PF02446
(Glyco_hydro_77)
6 ARG A 291
ASP A 293
GLY A 343
PHE A 366
HIS A 394
ASP A 395
None
1.06A 5csyB-1fp9A:
48.4
5csyB-1fp9A:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
thermophilus)
PF02446
(Glyco_hydro_77)
5 GLN A 256
TRP A 258
ASP A 293
GLY A 343
PHE A 366
None
0.95A 5csyB-1fp9A:
48.4
5csyB-1fp9A:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
thermophilus)
PF02446
(Glyco_hydro_77)
6 TRP A 258
ASP A 293
GLU A 340
GLY A 343
PHE A 366
HIS A 394
None
1.13A 5csyB-1fp9A:
48.4
5csyB-1fp9A:
38.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fp9 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
thermophilus)
PF02446
(Glyco_hydro_77)
6 TRP A 258
ASP A 293
GLY A 343
PHE A 366
HIS A 394
ASP A 395
None
1.10A 5csyB-1fp9A:
48.4
5csyB-1fp9A:
38.04
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92)
PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C)
5 ARG A 309
ASP A 311
GLU A 340
HIS A 417
ASP A 418
None
0.52A 5csyB-1h3gA:
18.4
5csyB-1h3gA:
21.58
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE


(Sulfolobus
acidocaldarius)
PF00128
(Alpha-amylase)
PF09196
(DUF1953)
5 ARG A 226
ASP A 228
GLU A 255
HIS A 442
ASP A 443
None
0.48A 5csyB-1iv8A:
7.3
5csyB-1iv8A:
22.55
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE


(Sulfolobus
acidocaldarius)
PF00128
(Alpha-amylase)
PF09196
(DUF1953)
5 ASP A 394
ASP A 228
GLU A 255
HIS A 442
ASP A 443
MLY  A 390 ( 3.8A)
None
None
None
None
0.84A 5csyB-1iv8A:
7.3
5csyB-1iv8A:
22.55
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C)
5 ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
None
0.48A 5csyB-1j0hA:
19.8
5csyB-1j0hA:
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
5 ARG A 183
ASP A 185
GLU A 222
HIS A 286
ASP A 287
CL  A 501 (-4.0A)
None
None
None
None
0.42A 5csyB-1jaeA:
5.0
5csyB-1jaeA:
21.81
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.
1jxk ALPHA-AMYLASE,
SALIVARY


(Homo sapiens)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
5 ARG A 195
ASP A 197
GLU A 233
HIS A 299
ASP A 300
CL  A 493 (-4.0A)
None
None
None
None
0.38A 5csyB-1jxkA:
5.1
5csyB-1jxkA:
22.31
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
5 ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
0.78A 5csyB-1kclA:
19.5
5csyB-1kclA:
21.70
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE


(Thermotoga
maritima)
PF00128
(Alpha-amylase)
PF09178
(DUF1945)
5 ARG A 184
ASP A 186
GLU A 216
HIS A 277
ASP A 278
None
0.60A 5csyB-1lwhA:
20.4
5csyB-1lwhA:
20.92
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.
1m53 ISOMALTULOSE
SYNTHASE


(Klebsiella sp.
LX3)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ARG A 239
ASP A 241
GLU A 295
HIS A 368
ASP A 369
None
0.46A 5csyB-1m53A:
17.2
5csyB-1m53A:
20.80
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
ZN  A 441 ( 4.8A)
ZN  A 441 ( 4.2A)
ZN  A 441 (-2.0A)
None
ZN  A 441 (-4.0A)
0.51A 5csyB-1mwoA:
5.4
5csyB-1mwoA:
21.51
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.
1ose PORCINE
ALPHA-AMYLASE


(Sus scrofa)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
5 ARG A 195
ASP A 197
GLU A 233
HIS A 299
ASP A 300
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.3A)
AC1  A 992 ( 2.7A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
0.36A 5csyB-1oseA:
5.1
5csyB-1oseA:
22.15
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
5 ARG A 226
ASP A 228
GLU A 256
HIS A 328
ASP A 329
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
0.43A 5csyB-1qhoA:
19.9
5csyB-1qhoA:
21.86
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
5 ARG A 226
GLU A 256
GLY A 259
HIS A 328
ASP A 329
ABD  A1200 (-3.3A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
0.80A 5csyB-1qhoA:
19.9
5csyB-1qhoA:
21.86
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C)
5 ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
None
0.61A 5csyB-1smaA:
19.5
5csyB-1smaA:
22.54
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2


(Carboxydothermus
hydrogenoformans)
PF03063
(Prismane)
5 ASP A 454
GLN A 453
GLY A 477
HIS A 522
HIS A 259
None
1.17A 5csyB-1su7A:
undetectable
5csyB-1su7A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE


(Aquifex
aeolicus)
PF02446
(Glyco_hydro_77)
9 GLN A 249
ARG A 284
ASP A 286
GLU A 333
GLY A 336
PHE A 359
HIS A 368
HIS A 384
ASP A 385
None
0.86A 5csyB-1tz7A:
49.4
5csyB-1tz7A:
38.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE


(Aquifex
aeolicus)
PF02446
(Glyco_hydro_77)
9 GLN A 249
TRP A 251
ASP A 286
GLU A 333
GLY A 336
PHE A 359
HIS A 368
HIS A 384
ASP A 385
None
0.81A 5csyB-1tz7A:
49.4
5csyB-1tz7A:
38.95
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis)
PF00128
(Alpha-amylase)
5 ARG A 174
ASP A 176
GLU A 208
HIS A 268
ASP A 269
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
0.48A 5csyB-1ua7A:
5.4
5csyB-1ua7A:
22.76
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 229
ASP A 231
GLU A 261
HIS A 327
ASP A 328
None
0.41A 5csyB-1ud3A:
5.2
5csyB-1ud3A:
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.
1uok OLIGO-1,6-GLUCOSIDAS
E


(Bacillus cereus)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
6 ARG A 197
ASP A 199
GLU A 255
HIS A 283
HIS A 328
ASP A 329
None
0.92A 5csyB-1uokA:
18.2
5csyB-1uokA:
21.07
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 234
ASP A 236
GLU A 266
HIS A 332
ASP A 333
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
0.50A 5csyB-1w9xA:
5.0
5csyB-1w9xA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE


(Solanum
tuberosum)
PF02446
(Glyco_hydro_77)
7 ARG A 319
ASP A 321
GLY A 371
PHE A 394
HIS A 404
HIS A 420
ASP A 421
None
GOL  A1001 (-4.9A)
GOL  A1003 (-3.7A)
GOL  A1003 (-3.7A)
GOL  A1003 (-4.1A)
GOL  A1001 (-4.0A)
GOL  A1001 (-2.6A)
1.19A 5csyB-1x1nA:
53.1
5csyB-1x1nA:
68.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE


(Solanum
tuberosum)
PF02446
(Glyco_hydro_77)
5 TRP A 286
GLU A 368
GLY A 371
PHE A 394
HIS A 404
GOL  A1002 (-3.4A)
None
GOL  A1003 (-3.7A)
GOL  A1003 (-3.7A)
GOL  A1003 (-4.1A)
0.73A 5csyB-1x1nA:
53.1
5csyB-1x1nA:
68.13
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger)
PF00128
(Alpha-amylase)
PF09260
(DUF1966)
5 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
0.46A 5csyB-2aaaA:
19.1
5csyB-2aaaA:
24.07
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE


(Deinococcus
radiodurans)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459)
5 ARG A 273
ASP A 275
GLU A 308
HIS A 399
ASP A 400
None
0.41A 5csyB-2bxyA:
7.8
5csyB-2bxyA:
23.07
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE


(Bacillus sp.
707)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 234
ASP A 236
GLU A 266
HIS A 332
ASP A 333
None
None
None
None
GLC  A 605 (-3.5A)
0.58A 5csyB-2d3lA:
5.3
5csyB-2d3lA:
21.09
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 404
ASP A 406
GLU A 435
HIS A 524
ASP A 525
None
0.54A 5csyB-2e8yA:
19.4
5csyB-2e8yA:
21.88
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
6 ARG A 198
ASP A 200
GLU A 254
GLY A 257
HIS A 326
ASP A 327
None
0.68A 5csyB-2pwhA:
4.0
5csyB-2pwhA:
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME


(Hordeum vulgare)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 ARG A 178
ASP A 180
GLU A 205
HIS A 290
ASP A 291
None
0.52A 5csyB-2qpsA:
5.1
5csyB-2qpsA:
22.40
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
5 ARG A 361
ASP A 363
GLU A 399
HIS A 470
ASP A 471
A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
0.50A 5csyB-2vr5A:
6.7
5csyB-2vr5A:
20.57
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 620
ASP A 622
GLU A 651
HIS A 735
ASP A 736
None
0.34A 5csyB-2wanA:
19.0
5csyB-2wanA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
brockianus)
PF02446
(Glyco_hydro_77)
6 ARG A 291
ASP A 293
GLY A 343
PHE A 366
HIS A 394
ASP A 395
None
0.89A 5csyB-2x1iA:
48.8
5csyB-2x1iA:
37.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
brockianus)
PF02446
(Glyco_hydro_77)
6 ASP A 293
GLU A 340
GLY A 343
PHE A 366
HIS A 394
ASP A 395
None
0.93A 5csyB-2x1iA:
48.8
5csyB-2x1iA:
37.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
brockianus)
PF02446
(Glyco_hydro_77)
6 GLN A 256
TRP A 258
ASP A 293
GLU A 340
GLY A 343
PHE A 366
None
1.18A 5csyB-2x1iA:
48.8
5csyB-2x1iA:
37.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2x1i 4-ALPHA-GLUCANOTRANS
FERASE


(Thermus
brockianus)
PF02446
(Glyco_hydro_77)
6 TRP A 258
ASP A 293
GLU A 340
GLY A 343
PHE A 366
ASP A 395
None
1.11A 5csyB-2x1iA:
48.8
5csyB-2x1iA:
37.48
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE


(Streptococcus
pneumoniae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD)
5 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
0.34A 5csyB-2ya1A:
16.3
5csyB-2ya1A:
20.35
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE


(Streptococcus
pneumoniae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 321
ASP A 323
GLU A 352
HIS A 439
ASP A 440
NOJ  A1689 (-3.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
0.29A 5csyB-2ya2A:
14.8
5csyB-2ya2A:
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
5 ARG A 663
ASP A 665
GLU A 694
HIS A 821
ASP A 822
None
0.83A 5csyB-2yocA:
2.9
5csyB-2yocA:
20.02
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus)
PF00128
(Alpha-amylase)
5 ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
0.51A 5csyB-2z1kA:
4.7
5csyB-2z1kA:
22.74
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.
3aib GLUCOSYLTRANSFERASE-
SI


(Streptococcus
mutans)
PF02324
(Glyco_hydro_70)
5 ARG A 475
ASP A 477
GLU A 515
HIS A 587
ASP A 588
None
0.77A 5csyB-3aibA:
2.0
5csyB-3aibA:
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1


(Saccharomyces
cerevisiae)
PF00128
(Alpha-amylase)
5 ARG A 213
ASP A 215
HIS A 305
HIS A 351
ASP A 352
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
None
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
0.82A 5csyB-3axiA:
7.7
5csyB-3axiA:
22.44
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION


(Halothermothrix
orenii)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 348
ASP A 350
GLU A 380
HIS A 446
ASP A 447
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
0.35A 5csyB-3bc9A:
5.8
5csyB-3bc9A:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Thermoanaerobacterium
thermosulfurigenes)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
5 ARG A 228
ASP A 230
GLU A 258
HIS A 328
ASP A 329
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
0.47A 5csyB-3bmwA:
20.0
5csyB-3bmwA:
20.92
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum)
PF00128
(Alpha-amylase)
6 TRP A 137
ARG A 169
ASP A 171
GLU A 200
HIS A 276
ASP A 277
None
0.53A 5csyB-3dhuA:
23.1
5csyB-3dhuA:
22.54
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.
3faw RETICULOCYTE BINDING
PROTEIN


(Streptococcus
agalactiae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 800
ASP A 802
GLU A 831
HIS A 918
ASP A 919
None
0.93A 5csyB-3fawA:
16.0
5csyB-3fawA:
20.42
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM


(Serratia
plymuthica)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
0.47A 5csyB-3gbdA:
17.5
5csyB-3gbdA:
19.87
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE


(Sulfurisphaera
tokodaii)
PF00128
(Alpha-amylase)
PF09196
(DUF1953)
6 ASP A 392
ARG A 220
ASP A 222
GLU A 249
HIS A 440
ASP A 441
None
None
GOL  A 802 (-2.8A)
GOL  A 804 (-3.8A)
None
GOL  A 802 ( 3.7A)
0.88A 5csyB-3hjeA:
13.2
5csyB-3hjeA:
22.35
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron)
PF00128
(Alpha-amylase)
5 ARG A 386
ASP A 388
GLU A 431
HIS A 497
ASP A 498
None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
0.51A 5csyB-3k8kA:
4.8
5csyB-3k8kA:
22.54
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.
3m07 PUTATIVE ALPHA
AMYLASE


(Salmonella
enterica)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
5 TRP A 227
ARG A 259
ASP A 261
GLU A 296
ASP A 393
BTB  A 605 (-3.1A)
None
BTB  A 605 (-2.9A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
1.06A 5csyB-3m07A:
19.8
5csyB-3m07A:
23.62
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.
3m07 PUTATIVE ALPHA
AMYLASE


(Salmonella
enterica)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
5 TRP A 227
ARG A 259
ASP A 261
GLU A 296
HIS A 392
BTB  A 605 (-3.1A)
None
BTB  A 605 (-2.9A)
MG  A 597 (-3.9A)
BTB  A 605 (-4.1A)
0.62A 5csyB-3m07A:
19.8
5csyB-3m07A:
23.62
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
TRS  A 505 (-3.0A)
TRS  A 505 (-2.7A)
TRS  A 505 (-2.7A)
TRS  A 505 (-4.2A)
TRS  A 505 (-3.0A)
0.49A 5csyB-3qgvA:
5.4
5csyB-3qgvA:
19.38
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 ARG A 282
ASP A 284
GLU A 326
HIS A 395
ASP A 396
GOL  A 721 (-3.4A)
GOL  A 720 (-3.0A)
TRS  A 700 (-4.2A)
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
0.29A 5csyB-3ucqA:
18.4
5csyB-3ucqA:
22.39
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C)
5 TRP A 215
ARG A 250
GLU A 283
HIS A 376
ASP A 377
GLC  A 604 (-3.3A)
GLC  A 604 (-3.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
0.59A 5csyB-3vgfA:
18.0
5csyB-3vgfA:
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
5 ARG A 195
ASP A 197
GLU A 233
HIS A 299
ASP A 300
CL  A 507 (-3.9A)
None
None
None
None
0.45A 5csyB-3vm5A:
5.3
5csyB-3vm5A:
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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea)
PF00128
(Alpha-amylase)
PF09260
(DUF1966)
5 ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
0.45A 5csyB-3vm7A:
19.6
5csyB-3vm7A:
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.
3vtr N-ACETYLGLUCOSAMINID
ASE


(Ostrinia
furnacalis)
PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
5 LEU A 334
ARG A 220
GLY A 332
HIS A 246
ASP A 299
None
TCG  A 601 (-2.7A)
None
None
None
1.03A 5csyB-3vtrA:
11.0
5csyB-3vtrA:
23.21
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
0.31A 5csyB-3wdjA:
17.6
5csyB-3wdjA:
21.23
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 ARG A 201
ASP A 203
GLU A 228
HIS A 313
ASP A 314
None
GOL  A 505 (-3.4A)
None
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
0.41A 5csyB-3wn6A:
4.3
5csyB-3wn6A:
23.22
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
5 ARG A 200
ASP A 202
GLU A 271
GLY A 228
HIS A 332
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
None
BGC  A 605 (-3.9A)
1.08A 5csyB-3wy2A:
17.5
5csyB-3wy2A:
22.13
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
5 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
0.46A 5csyB-3wy2A:
17.5
5csyB-3wy2A:
22.13
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
5 ARG A 200
ASP A 202
GLY A 273
HIS A 332
ASP A 333
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
None
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
0.69A 5csyB-3wy2A:
17.5
5csyB-3wy2A:
22.13
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION


(Staphylothermus
marinus)
PF00128
(Alpha-amylase)
5 ARG A 440
ASP A 442
GLU A 471
HIS A 535
ASP A 536
None
0.42A 5csyB-4aeeA:
2.1
5csyB-4aeeA:
21.53
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)


(Pyrococcus
furiosus)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM)
5 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
None
0.48A 5csyB-4aefA:
3.9
5csyB-4aefA:
22.62
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E


(Lactobacillus
acidophilus)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ARG A 196
ASP A 198
GLU A 240
HIS A 315
ASP A 316
GOL  A1542 ( 4.4A)
GOL  A1542 (-2.7A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
0.35A 5csyB-4aieA:
4.1
5csyB-4aieA:
22.27
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare)
PF02922
(CBM_48)
PF11852
(DUF3372)
5 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
0.70A 5csyB-4aioA:
5.1
5csyB-4aioA:
21.14
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans)
PF00128
(Alpha-amylase)
5 ARG A 274
ASP A 276
GLU A 318
HIS A 387
ASP A 388
None
0.85A 5csyB-4aysA:
13.8
5csyB-4aysA:
21.55
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans)
PF00128
(Alpha-amylase)
5 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
0.41A 5csyB-4e2oA:
6.0
5csyB-4e2oA:
22.15
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1


(Bacillus
subtilis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
6 ARG A 197
ASP A 199
GLU A 255
HIS A 283
HIS A 331
ASP A 332
TRS  A 601 ( 4.8A)
TRS  A 601 (-2.7A)
TRS  A 601 ( 2.7A)
GOL  A 606 (-3.8A)
None
GOL  A 602 (-2.8A)
0.88A 5csyB-4m8uA:
17.3
5csyB-4m8uA:
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
0.47A 5csyB-4okdA:
17.6
5csyB-4okdA:
21.16
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
6 ARG A 446
ASP A 448
GLU A 496
GLY A 499
PHE A 522
HIS A 547
None
0.95A 5csyB-4s3pA:
32.4
5csyB-4s3pA:
23.42
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
5 ARG A 446
ASP A 448
PHE A 522
HIS A 547
ASP A 548
None
0.89A 5csyB-4s3pA:
32.4
5csyB-4s3pA:
23.42
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
5 GLN A 411
TRP A 413
GLU A 496
GLY A 499
PHE A 522
None
0.75A 5csyB-4s3pA:
32.4
5csyB-4s3pA:
23.42
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
6 TRP A 413
ARG A 446
GLU A 496
GLY A 499
PHE A 522
HIS A 547
None
0.79A 5csyB-4s3pA:
32.4
5csyB-4s3pA:
23.42
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.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE


(Escherichia
coli)
PF02446
(Glyco_hydro_77)
5 TRP A 413
ARG A 446
PHE A 522
HIS A 547
ASP A 548
None
0.87A 5csyB-4s3pA:
32.4
5csyB-4s3pA:
23.42
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides)
PF02324
(Glyco_hydro_70)
5 ARG A2208
ASP A2210
GLU A2248
HIS A2321
ASP A2322
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 4.5A)
None
None
0.79A 5csyB-4tvcA:
3.2
5csyB-4tvcA:
18.88
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.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
5 ARG A 230
ASP A 232
GLU A 262
HIS A 328
ASP A 329
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
NA  A1490 (-2.7A)
None
NA  A1490 ( 4.5A)
0.49A 5csyB-4uzuA:
5.0
5csyB-4uzuA:
22.52
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E


(Streptococcus
mutans)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ARG A 192
ASP A 194
HIS A 264
HIS A 312
ASP A 313
None
0.81A 5csyB-4xb3A:
20.0
5csyB-4xb3A:
22.08
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES


(Anoxybacillus
ayderensis)
PF00128
(Alpha-amylase)
5 ARG A 211
ASP A 213
GLU A 242
HIS A 309
ASP A 310
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
ACT  A1479 ( 4.5A)
None
ACT  A1479 ( 4.9A)
0.46A 5csyB-5a2aA:
5.9
5csyB-5a2aA:
22.60
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ARG A 201
ASP A 203
GLU A 254
HIS A 282
HIS A 328
None
1.13A 5csyB-5brqA:
17.0
5csyB-5brqA:
21.33
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
5 ASP A 203
GLU A 254
HIS A 282
HIS A 328
ASP A 329
None
0.95A 5csyB-5brqA:
17.0
5csyB-5brqA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC


(Arabidopsis
thaliana)
PF02446
(Glyco_hydro_77)
12 ASP A 329
LEU A 330
GLN A 336
TRP A 338
ARG A 371
ASP A 373
GLU A 420
GLY A 423
PHE A 446
HIS A 456
HIS A 472
ASP A 473
GLC  A 608 ( 3.5A)
BGC  A 609 ( 3.6A)
AGL  A 607 ( 3.6A)
HMC  A 606 ( 3.6A)
HMC  A 606 ( 3.7A)
HMC  A 606 ( 3.0A)
AGL  A 607 ( 2.7A)
GLC  A 608 ( 3.6A)
BGC  A 609 ( 4.1A)
BGC  A 609 ( 4.3A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
0.31A 5csyB-5csuA:
60.3
5csyB-5csuA:
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.
5d0f UNCHARACTERIZED
PROTEIN


([Candida]
glabrata)
PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central)
5 TRP A 496
ARG A 533
ASP A 535
HIS A 669
ASP A 670
MTT  A2001 (-3.5A)
None
MTT  A2001 (-3.0A)
None
MTT  A2001 (-3.3A)
0.80A 5csyB-5d0fA:
11.6
5csyB-5d0fA:
17.37
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes)
no annotation 6 ARG B 195
ASP B 197
GLU B 254
HIS B 282
HIS B 327
ASP B 328
BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
None
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
1.27A 5csyB-5do8B:
17.2
5csyB-5do8B:
20.12
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.
5jbe INACTIVE
GLUCANSUCRASE


(Lactobacillus
reuteri)
PF02324
(Glyco_hydro_70)
5 ARG A1013
ASP A1015
GLU A1053
HIS A1124
ASP A1125
None
None
None
None
GLC  A1711 ( 3.2A)
0.38A 5csyB-5jbeA:
3.0
5csyB-5jbeA:
20.42
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE


(Corynebacterium
glutamicum)
PF02446
(Glyco_hydro_77)
5 ARG A 458
ASP A 460
GLU A 508
PHE A 534
HIS A 560
None
1.15A 5csyB-5jjhA:
32.3
5csyB-5jjhA:
22.40
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE


(Corynebacterium
glutamicum)
PF02446
(Glyco_hydro_77)
5 ARG A 458
ASP A 460
PHE A 534
HIS A 560
ASP A 561
None
0.68A 5csyB-5jjhA:
32.3
5csyB-5jjhA:
22.40
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila)
PF00128
(Alpha-amylase)
5 ARG B 211
ASP B 213
GLU B 253
HIS B 304
ASP B 305
K  B 605 ( 4.8A)
EDO  B 616 ( 2.8A)
K  B 605 ( 4.7A)
None
K  B 605 ( 4.7A)
0.45A 5csyB-5m99B:
18.7
5csyB-5m99B:
20.16
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea)
no annotation 5 ARG A 284
ASP A 286
GLU A 328
HIS A 392
ASP A 393
TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
0.44A 5csyB-5n6vA:
14.9
5csyB-5n6vA:
9.16
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY


(Thermococcus
kodakarensis)
no annotation 5 ARG A 501
ASP A 503
GLU A 534
HIS A 600
ASP A 601
None
0.42A 5csyB-5ot1A:
19.6
5csyB-5ot1A:
10.53
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii)
no annotation 5 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
0.31A 5csyB-5ww1A:
4.2
5csyB-5ww1A:
9.79
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum)
no annotation 5 ARG A 200
ASP A 202
GLU A 244
HIS A 309
ASP A 310
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
0.38A 5csyB-5x7uA:
17.0
5csyB-5x7uA:
8.16
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris)
no annotation 5 ARG A 354
ASP A 356
GLU A 396
HIS A 471
ASP A 472
None
0.45A 5csyB-5z0uA:
19.8
5csyB-5z0uA:
10.75
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.
1edy ALPHA
1-MACROGLOBULIN


(Rattus
norvegicus)
PF07677
(A2M_recep)
4 TYR A 128
PHE A  17
HIS A  29
PRO A 131
None
1.30A 5csyB-1edyA:
undetectable
5csyB-1edyA:
13.75
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.
1h0p PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
5


(Caenorhabditis
elegans)
PF00160
(Pro_isomerase)
4 PHE A  49
HIS A 116
LEU A 122
PRO A  24
None
1.41A 5csyB-1h0pA:
undetectable
5csyB-1h0pA:
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.
1ioo SF11-RNASE

(Nicotiana alata)
PF00445
(Ribonuclease_T2)
4 PHE A 194
HIS A 124
LEU A 117
PRO A 128
None
1.49A 5csyB-1iooA:
undetectable
5csyB-1iooA:
16.67
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens)
PF01244
(Peptidase_M19)
4 TYR A 305
PHE A 113
LEU A 330
PRO A  15
None
1.46A 5csyB-1ituA:
3.6
5csyB-1ituA:
22.28
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima)
PF02614
(UxaC)
4 PHE A 449
HIS A 439
LEU A 391
PRO A  29
None
1.44A 5csyB-1j5sA:
4.6
5csyB-1j5sA:
22.87
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.
1k26 NUDIX HOMOLOG

(Pyrobaculum
aerophilum)
PF00293
(NUDIX)
4 TYR A  25
PHE A  46
LEU A 105
PRO A  28
None
1.44A 5csyB-1k26A:
undetectable
5csyB-1k26A:
16.93
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae)
PF00668
(Condensation)
4 PHE A 158
HIS A 108
LEU A 141
PRO A 272
None
1.27A 5csyB-1l5aA:
undetectable
5csyB-1l5aA:
22.11
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.
1lw7 TRANSCRIPTIONAL
REGULATOR NADR


(Haemophilus
influenzae)
PF01467
(CTP_transf_like)
PF13521
(AAA_28)
4 TYR A 181
PHE A 165
LEU A 137
PRO A 167
None
1.43A 5csyB-1lw7A:
undetectable
5csyB-1lw7A:
18.24
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei)
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
4 TYR A 306
PHE A 279
HIS A 333
PRO A 278
None
1.14A 5csyB-1mwoA:
5.4
5csyB-1mwoA:
21.51
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.
1na6 RESTRICTION
ENDONUCLEASE ECORII


(Escherichia
coli)
PF09019
(EcoRII-C)
PF09217
(EcoRII-N)
4 TYR A 202
PHE A 193
LEU A 231
PRO A 194
None
1.38A 5csyB-1na6A:
2.6
5csyB-1na6A:
22.49
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.
1nx8 CARBAPENEM SYNTHASE

(Pectobacterium
carotovorum)
PF02668
(TauD)
4 TYR A 230
PHE A 192
HIS A 135
LEU A 150
None
1.29A 5csyB-1nx8A:
undetectable
5csyB-1nx8A:
20.68
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.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 PHE A 960
HIS A 914
LEU A 916
PRO A 959
None
1.23A 5csyB-1p2zA:
undetectable
5csyB-1p2zA:
19.77
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE


(Staphylococcus
aureus)
PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1)
4 PHE A 148
HIS A  67
LEU A 142
PRO A  92
None
MRC  A1993 (-4.1A)
None
None
1.49A 5csyB-1qu2A:
undetectable
5csyB-1qu2A:
20.78
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.
1txl METAL-BINDING
PROTEIN YODA


(Escherichia
coli)
PF09223
(ZinT)
4 TYR A  95
PHE A  89
HIS A  97
LEU A  73
None
1.47A 5csyB-1txlA:
undetectable
5csyB-1txlA:
17.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE


(Aquifex
aeolicus)
PF02446
(Glyco_hydro_77)
4 TYR A  58
HIS A 287
LEU A 335
PRO A 452
None
0.50A 5csyB-1tz7A:
49.4
5csyB-1tz7A:
38.95
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE


(Pyrococcus
furiosus)
PF04587
(ADP_PFK_GK)
4 PHE A 144
HIS A 132
LEU A  27
PRO A 164
None
1.37A 5csyB-1ua4A:
2.4
5csyB-1ua4A:
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus)
PF03065
(Glyco_hydro_57)
PF09210
(DUF1957)
4 TYR A 421
PHE A 486
HIS A 481
LEU A 453
None
1.32A 5csyB-1ufaA:
3.2
5csyB-1ufaA:
22.78
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans)
PF04616
(Glyco_hydro_43)
4 TYR A  74
PHE A  64
LEU A 113
PRO A  68
None
0.98A 5csyB-1wl7A:
undetectable
5csyB-1wl7A:
19.51
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.
1xea OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY


(Vibrio cholerae)
PF01408
(GFO_IDH_MocA)
4 PHE A 168
HIS A 296
LEU A 298
PRO A 171
None
1.32A 5csyB-1xeaA:
undetectable
5csyB-1xeaA:
20.38
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.
2au1 IGG-DEGRADING
PROTEASE


(Streptococcus
pyogenes)
PF09028
(Mac-1)
4 PHE A 326
HIS A 253
LEU A 323
PRO A 173
None
1.42A 5csyB-2au1A:
undetectable
5csyB-2au1A:
19.12
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.
2gdu SUCROSE
PHOSPHORYLASE


(Bifidobacterium
adolescentis)
PF00128
(Alpha-amylase)
PF09244
(DUF1964)
4 TYR A 196
PHE A 140
LEU A 113
PRO A 139
None
1.49A 5csyB-2gduA:
16.4
5csyB-2gduA:
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE


(Neurospora
crassa)
PF05183
(RdRP)
4 TYR A 890
PHE A 841
LEU A 898
PRO A 885
None
1.39A 5csyB-2j7nA:
undetectable
5csyB-2j7nA:
20.34
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.
2obe HEXON

(Human
mastadenovirus
E)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 PHE A 925
HIS A 879
LEU A 881
PRO A 924
None
1.29A 5csyB-2obeA:
undetectable
5csyB-2obeA:
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.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR


(Arabidopsis
thaliana)
PF00448
(SRP54)
PF02881
(SRP54_N)
4 PHE A 304
HIS A 148
LEU A 150
PRO A 316
None
1.28A 5csyB-2og2A:
2.2
5csyB-2og2A:
23.42
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE


(Escherichia
coli)
PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C)
4 PHE A 521
HIS A 363
LEU A 531
PRO A 284
None
1.44A 5csyB-2vycA:
undetectable
5csyB-2vycA:
22.61
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME


(Escherichia
coli)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
4 PHE A 550
HIS A 556
LEU A 504
PRO A 632
None
1.41A 5csyB-2wskA:
18.5
5csyB-2wskA:
22.40
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.
3cwu DNA-3-METHYLADENINE
GLYCOSYLASE 2


(Escherichia
coli)
PF00730
(HhH-GPD)
PF06029
(AlkA_N)
4 PHE A  18
HIS A 270
LEU A 268
PRO A 108
None
1.49A 5csyB-3cwuA:
undetectable
5csyB-3cwuA:
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF01301
(Glyco_hydro_35)
4 PHE A 512
HIS A 385
LEU A 383
PRO A 507
None
1.37A 5csyB-3d3aA:
9.7
5csyB-3d3aA:
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.
3edp LIN2111 PROTEIN

(Listeria
innocua)
PF00392
(GntR)
PF07702
(UTRA)
4 TYR A  69
PHE A 101
LEU A 150
PRO A  72
None
1.45A 5csyB-3edpA:
undetectable
5csyB-3edpA:
18.52
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.
3fn1 NEDD8-CONJUGATING
ENZYME UBE2F


(Homo sapiens)
PF00179
(UQ_con)
4 TYR B  75
HIS B 164
LEU B 166
PRO B 107
None
1.30A 5csyB-3fn1B:
undetectable
5csyB-3fn1B:
15.47
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE


(Medicago
truncatula)
PF00201
(UDPGT)
4 PHE A 239
HIS A 155
LEU A 153
PRO A 214
None
1.45A 5csyB-3hbjA:
undetectable
5csyB-3hbjA:
23.87
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.
3k65 PROTHROMBIN

(Homo sapiens)
PF00051
(Kringle)
4 TYR A 242
PHE A 208
LEU A 202
PRO A 222
None
None
BU1  A 599 ( 4.7A)
None
1.43A 5csyB-3k65A:
undetectable
5csyB-3k65A:
12.77
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.
3nby SNURPORTIN-1

(Homo sapiens)
PF11538
(Snurportin1)
4 TYR B 265
HIS B 264
LEU B  55
PRO B 194
None
1.43A 5csyB-3nbyB:
undetectable
5csyB-3nbyB:
19.90
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1)
PF01663
(Phosphodiest)
4 PHE A  51
HIS A  93
LEU A 296
PRO A 502
None
1.29A 5csyB-3q3qA:
undetectable
5csyB-3q3qA:
21.77
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.
3rmv GLYCOGENIN-1

(Homo sapiens)
PF01501
(Glyco_transf_8)
4 TYR A 224
PHE A 213
LEU A 248
PRO A 219
None
1.47A 5csyB-3rmvA:
undetectable
5csyB-3rmvA:
17.83
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.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI


(Mycobacterium
tuberculosis)
PF00425
(Chorismate_bind)
4 PHE A 112
HIS A 117
LEU A 121
PRO A 358
None
1.09A 5csyB-3rv6A:
undetectable
5csyB-3rv6A:
22.96
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.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB


(Bacillus
anthracis)
PF04183
(IucA_IucC)
PF06276
(FhuF)
4 TYR A 560
PHE A  75
LEU A 509
PRO A 588
None
1.35A 5csyB-3to3A:
undetectable
5csyB-3to3A:
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.
3v0a NTNH

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C)
4 TYR B 372
PHE B  78
LEU B  86
PRO B 205
None
1.41A 5csyB-3v0aB:
undetectable
5csyB-3v0aB:
17.45
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.
3vuo NTNHA

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C)
4 TYR A 372
PHE A  78
LEU A  86
PRO A 205
None
1.47A 5csyB-3vuoA:
undetectable
5csyB-3vuoA:
17.98
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.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 PHE A 904
HIS A 858
LEU A 860
PRO A 903
None
1.39A 5csyB-3zifA:
undetectable
5csyB-3zifA:
20.59
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II)
4 TYR A 186
PHE A 144
LEU A 257
PRO A 165
None
1.37A 5csyB-3zzuA:
undetectable
5csyB-3zzuA:
22.30
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.
4b8s ADP-DEPENDENT
GLUCOKINASE


(Thermococcus
litoralis)
PF04587
(ADP_PFK_GK)
4 PHE A 152
HIS A 140
LEU A  35
PRO A 172
None
1.37A 5csyB-4b8sA:
undetectable
5csyB-4b8sA:
21.85
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE


(Trypanosoma
cruzi)
PF00179
(UQ_con)
4 PHE A  73
HIS A 115
LEU A  16
PRO A  82
None
1.02A 5csyB-4ds2A:
undetectable
5csyB-4ds2A:
13.63
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.
4ejr MAJOR CAPSID PROTEIN
VP60


(Rabbit
hemorrhagic
disease virus)
PF00915
(Calici_coat)
4 TYR A  73
PHE A 221
LEU A 106
PRO A 217
None
1.40A 5csyB-4ejrA:
undetectable
5csyB-4ejrA:
19.46
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL


(Mus musculus)
PF00398
(RrnaAD)
4 PHE A 165
HIS A 137
LEU A 230
PRO A 164
None
1.22A 5csyB-4gc5A:
undetectable
5csyB-4gc5A:
20.21
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.
4i9c RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE F


(Bacillus
subtilis)
PF12895
(ANAPC3)
PF13424
(TPR_12)
4 TYR A  18
PHE A  24
HIS A  60
LEU A  62
None
1.24A 5csyB-4i9cA:
undetectable
5csyB-4i9cA:
22.46
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana)
PF01432
(Peptidase_M3)
4 TYR A 504
PHE A 573
HIS A 579
LEU A 581
GOL  A 804 (-4.7A)
None
None
None
1.43A 5csyB-4ka8A:
undetectable
5csyB-4ka8A:
22.04
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.
4kqb PROTEIN H03A11.1

(Caenorhabditis
elegans)
PF06702
(Fam20C)
4 TYR A 147
PHE A 373
HIS A 385
LEU A 386
None
None
None
ADP  A 608 ( 4.6A)
1.39A 5csyB-4kqbA:
undetectable
5csyB-4kqbA:
22.13
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9)
PF01979
(Amidohydro_1)
4 TYR A 210
HIS A 208
LEU A 291
PRO A 214
TYR  A 210 ( 1.3A)
HIS  A 208 ( 1.0A)
LEU  A 291 ( 0.6A)
PRO  A 214 ( 1.1A)
1.18A 5csyB-4kqnA:
3.6
5csyB-4kqnA:
21.70
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.
4nrh CHAPERONE SYCD

(Chlamydia
pneumoniae)
PF07720
(TPR_3)
4 TYR B  28
PHE B  86
LEU B  40
PRO B  85
None
1.40A 5csyB-4nrhB:
undetectable
5csyB-4nrhB:
15.54
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE


(Toxoplasma
gondii)
PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
4 TYR A  91
PHE A  45
LEU A 306
PRO A  47
None
1.14A 5csyB-4p2bA:
2.6
5csyB-4p2bA:
23.10
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.
4s1j PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE


(Leishmania
donovani)
PF00160
(Pro_isomerase)
4 PHE A  48
HIS A 115
LEU A 120
PRO A  23
None
1.34A 5csyB-4s1jA:
undetectable
5csyB-4s1jA:
14.89
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.
4ymk ACYL-COA DESATURASE
1


(Mus musculus)
PF00487
(FA_desaturase)
4 TYR A 269
PHE A 293
HIS A 352
LEU A 358
None
1.15A 5csyB-4ymkA:
undetectable
5csyB-4ymkA:
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.
4ypt REPLICASE
POLYPROTEIN 1AB


(Murine
coronavirus)
PF08715
(Viral_protease)
4 TYR A1874
PHE A1709
HIS A1876
LEU A1725
None
1.13A 5csyB-4yptA:
undetectable
5csyB-4yptA:
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2


(Homo sapiens)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
4 PHE A 161
HIS A 349
LEU A 346
PRO A 165
None
0.76A 5csyB-4zg7A:
undetectable
5csyB-4zg7A:
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.
5co8 NUCLEASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF00752
(XPG_N)
PF00867
(XPG_I)
4 PHE A 295
HIS A  25
LEU A  35
PRO A 296
None
1.25A 5csyB-5co8A:
undetectable
5csyB-5co8A:
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.
5cs0 ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF08326
(ACC_central)
4 PHE A 876
HIS A 912
LEU A 907
PRO A 877
None
1.43A 5csyB-5cs0A:
undetectable
5csyB-5cs0A:
18.31
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.
5csa ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00364
(Biotin_lipoyl)
PF08326
(ACC_central)
4 PHE A 876
HIS A 912
LEU A 907
PRO A 877
None
1.47A 5csyB-5csaA:
undetectable
5csyB-5csaA:
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.
5csl ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central)
4 PHE A 876
HIS A 912
LEU A 907
PRO A 877
None
1.40A 5csyB-5cslA:
undetectable
5csyB-5cslA:
13.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC


(Arabidopsis
thaliana)
PF02446
(Glyco_hydro_77)
5 TYR A 136
PHE A 331
HIS A 374
LEU A 422
PRO A 539
HMC  A 606 ( 4.0A)
GLC  A 608 ( 4.7A)
AGL  A 607 ( 3.8A)
GLC  A 608 ( 3.8A)
GLC  A 605 ( 3.6A)
0.13A 5csyB-5csuA:
60.3
5csyB-5csuA:
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)


(Agrobacterium
vitis)
PF13407
(Peripla_BP_4)
4 TYR A 142
PHE A 138
LEU A 103
PRO A 139
None
1.40A 5csyB-5dkvA:
undetectable
5csyB-5dkvA:
21.70
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE


(Sus scrofa)
PF00135
(COesterase)
4 PHE A 454
HIS A 449
LEU A  83
PRO A 434
None
1.16A 5csyB-5fv4A:
undetectable
5csyB-5fv4A:
22.39
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.
5fx8 LINOLEATE
11-LIPOXYGENASE


(Gaeumannomyces
avenae)
PF00305
(Lipoxygenase)
4 TYR A 289
PHE A 397
HIS A 478
PRO A 173
None
None
MN  A1000 (-3.4A)
None
1.22A 5csyB-5fx8A:
undetectable
5csyB-5fx8A:
21.89
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.
5g5t ARGONAUTE

(Methanocaldococcus
jannaschii)
PF02171
(Piwi)
4 TYR A 677
PHE A 622
HIS A 685
PRO A 624
None
1.41A 5csyB-5g5tA:
undetectable
5csyB-5g5tA:
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)


(Aspergillus
fumigatus)
PF00982
(Glyco_transf_20)
4 PHE A 182
HIS A 224
LEU A 225
PRO A 183
None
1.40A 5csyB-5hvoA:
undetectable
5csyB-5hvoA:
22.45
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.
5i6e ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF08326
(ACC_central)
4 PHE A 876
HIS A 912
LEU A 907
PRO A 877
None
1.46A 5csyB-5i6eA:
undetectable
5csyB-5i6eA:
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1


(Burkholderia
thailandensis)
PF05853
(BKACE)
4 PHE A 456
HIS A 421
LEU A 412
PRO A 455
None
1.36A 5csyB-5ikzA:
4.7
5csyB-5ikzA:
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.
5j62 PUTATIVE REDUCTASE

(Clostridioides
difficile)
PF00881
(Nitroreductase)
4 TYR A 185
PHE A 189
LEU A 114
PRO A 188
None
FMN  A 301 ( 4.8A)
None
None
1.39A 5csyB-5j62A:
undetectable
5csyB-5j62A:
18.02
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.
5ldn HEXON PROTEIN,HEXON
CAPSID


(Human
mastadenovirus
C)
PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C)
4 PHE A 944
HIS A 898
LEU A 900
PRO A 943
None
1.34A 5csyB-5ldnA:
undetectable
5csyB-5ldnA:
20.13
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.
5o0j ADP-DEPENDENT
GLUCOKINASE


(Pyrococcus
horikoshii)
no annotation 4 PHE A 147
HIS A 135
LEU A  30
PRO A 167
None
1.34A 5csyB-5o0jA:
undetectable
5csyB-5o0jA:
11.11
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.
5olj DIPEPTIDYL PEPTIDASE
IV


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
4 PHE A 498
HIS A 503
LEU A 579
PRO A 495
None
1.45A 5csyB-5oljA:
undetectable
5csyB-5oljA:
22.28
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.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
4 TYR A 186
PHE A 144
LEU A 257
PRO A 165
CL  A 501 (-4.7A)
None
None
None
1.28A 5csyB-5vh6A:
undetectable
5csyB-5vh6A:
21.54
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)


(Sorghum bicolor)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
4 TYR A  63
PHE A 137
LEU A  51
PRO A  67
None
1.49A 5csyB-5vktA:
undetectable
5csyB-5vktA:
20.63
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.
5xyi 40S RIBOSOMAL
PROTEIN S5-B,
PUTATIVE


(Trichomonas
vaginalis)
PF00177
(Ribosomal_S7)
4 PHE F  86
HIS F  35
LEU F  57
PRO F  97
None
1.42A 5csyB-5xyiF:
undetectable
5csyB-5xyiF:
16.87
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.
5y00 GREEN FLUORESCENT
PROTEIN


(Olindias)
no annotation 4 TYR A 238
HIS A 157
LEU A 164
PRO A 197
GOL  A 302 ( 4.4A)
None
None
None
1.39A 5csyB-5y00A:
undetectable
5csyB-5y00A:
9.89
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.
5y31 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 22


(Homo sapiens)
no annotation 4 TYR A 344
PHE A 335
HIS A 328
LEU A 329
None
1.27A 5csyB-5y31A:
undetectable
5csyB-5y31A:
8.99
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis)
no annotation 4 TYR A 186
PHE A 144
LEU A 257
PRO A 165
None
1.38A 5csyB-6bk7A:
undetectable
5csyB-6bk7A:
8.94
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea)
no annotation 4 TYR B 154
PHE B 619
LEU B 616
PRO B  11
None
0.80A 5csyB-6bywB:
undetectable
5csyB-6bywB:
10.83
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 4 PHE A 512
HIS A 385
LEU A 383
PRO A 507
None
1.35A 5csyB-6eonA:
10.3
5csyB-6eonA:
22.25
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.
6f5d ATP SYNTHASE SUBUNIT
BETA


(Trypanosoma
brucei)
no annotation 4 TYR D 247
PHE D 101
LEU D  97
PRO D  91
None
1.47A 5csyB-6f5dD:
undetectable
5csyB-6f5dD:
9.59