SIMILAR PATTERNS OF AMINO ACIDS FOR 3AIC_C_ACRC5044_1

	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)	6	ARG A 177 ASP A 179 GLU A 204 HIS A 288 ASP A 289 TYR A  51	None	0.61A	3aicC-1amyA: 9.6	3aicC-1amyA: 18.57
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.	1bf2	ISOAMYLASE (Pseudomonas amyloderamosa)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 373 ASP A 375 GLU A 435 HIS A 509 ASP A 510 TYR A 250	None	0.62A	3aicC-1bf2A: 3.2	3aicC-1bf2A: 21.44
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.	1bpl	ALPHA-1,4-GLUCAN-4-G LUCANOHYDROLASE (Bacillus licheniformis)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG B 229 ASP B 231 ALA B 232 GLU B 261 HIS B 327 ASP B 328 TYR A  56	None	0.60A	3aicC-1bplB: 17.3	3aicC-1bplB: 17.13
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.	1cyg	CYCLODEXTRIN GLUCANOTRANSFERASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	6	ARG A 223 ASP A 225 ALA A 226 GLU A 253 ASP A 324 TYR A  96	None	0.91A	3aicC-1cygA: 3.5	3aicC-1cygA: 22.75
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.	1cyg	CYCLODEXTRIN GLUCANOTRANSFERASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	6	ARG A 223 ASP A 225 ALA A 226 HIS A 323 ASP A 324 TYR A  96	None	0.91A	3aicC-1cygA: 3.5	3aicC-1cygA: 22.75
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.	1ded	CYCLODEXTRIN GLUCANOTRANSFERASE (Bacillus sp. 1011)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	6	ARG A 227 ASP A 229 ALA A 230 ASN A 233 HIS A 327 ASP A 328	QPS  A1001 ( 3.8A) QPS  A1001 (-2.7A) QPS  A1001 ( 3.0A) QPS  A1001 ( 3.4A) QPS  A1001 (-3.6A) QPS  A1001 (-1.7A)	0.76A	3aicC-1dedA: 3.9	3aicC-1dedA: 23.55
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.	1ded	CYCLODEXTRIN GLUCANOTRANSFERASE (Bacillus sp. 1011)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	6	ARG A 227 ASP A 229 ALA A 230 ASN A 233 HIS A 327 TYR A 100	QPS  A1001 ( 3.8A) QPS  A1001 (-2.7A) QPS  A1001 ( 3.0A) QPS  A1001 ( 3.4A) QPS  A1001 (-3.6A) QPS  A1001 (-2.9A)	0.72A	3aicC-1dedA: 3.9	3aicC-1dedA: 23.55
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.	1e43	ALPHA-AMYLASE (Bacillus amyloliquefaciens)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 229 ASP A 231 ALA A 232 GLU A 261 HIS A 327 ASP A 328 TYR A  54	None	0.57A	3aicC-1e43A: 14.2	3aicC-1e43A: 19.81
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.	1h3g	CYCLOMALTODEXTRINASE (Flavobacterium sp. 92)	PF00128 (Alpha-amylase) PF09087 (Cyc-maltodext_N) PF10438 (Cyc-maltodext_C)	6	ARG A 309 ASP A 311 GLU A 340 HIS A 417 ASP A 418 TYR A 183	None	0.72A	3aicC-1h3gA: 7.4	3aicC-1h3gA: 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.	1iv8	MALTOOLIGOSYL TREHALOSE SYNTHASE (Sulfolobus acidocaldarius)	PF00128 (Alpha-amylase) PF09196 (DUF1953)	6	ARG A 226 ASP A 228 GLU A 255 HIS A 442 ASP A 443 TYR A  50	None	0.73A	3aicC-1iv8A: 6.9	3aicC-1iv8A: 22.47
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.	1j0h	NEOPULLULANASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF02903 (Alpha-amylase_N) PF16657 (Malt_amylase_C)	6	ARG A 326 ASP A 328 GLU A 357 HIS A 423 ASP A 424 TYR A 207	None	0.70A	3aicC-1j0hA: 9.6	3aicC-1j0hA: 20.58
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.	1jae	ALPHA-AMYLASE (Tenebrio molitor)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C)	7	ARG A 183 ASP A 185 ALA A 186 GLU A 222 HIS A 286 ASP A 287 TYR A  60	CL  A 501 (-4.0A) None None None None None None	0.62A	3aicC-1jaeA: 8.9	3aicC-1jaeA: 20.24
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.	1jxk	ALPHA-AMYLASE, SALIVARY (Homo sapiens)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C)	7	ARG A 195 ASP A 197 ALA A 198 GLU A 233 HIS A 299 ASP A 300 TYR A  62	CL  A 493 (-4.0A) None None None None None None	0.59A	3aicC-1jxkA: 11.2	3aicC-1jxkA: 21.06
Potential target for repurposing, i.e. matched protein structure has less than 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)	7	ARG A 227 ASP A 229 ALA A 230 GLU A 257 HIS A 327 ASP A 328 TYR A 100	GLC  A1695 ( 4.1A) GLC  A1695 (-3.2A) GLC  A1694 (-3.6A) GLC  A1695 ( 2.6A) GLC  A1695 (-4.1A) GLC  A1695 ( 3.0A) GLC  A1695 ( 3.1A)	0.79A	3aicC-1kclA: 6.3	3aicC-1kclA: 23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1kxh	ALPHA-AMYLASE (Pseudoalteromonas haloplanktis)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C)	6	ARG A 172 ALA A 175 GLU A 200 HIS A 263 ASP A 264 TYR A  50	CL  A 900 (-4.1A) ACR  A 598 (-3.7A) ACR  A 598 (-2.8A) None ACR  A 598 (-3.1A) ACR  A 598 (-4.5A)	0.73A	3aicC-1kxhA: 8.5	3aicC-1kxhA: 20.84
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.	1lwh	4-ALPHA-GLUCANOTRANS FERASE (Thermotoga maritima)	PF00128 (Alpha-amylase) PF09178 (DUF1945)	7	ARG A 184 ASP A 186 ALA A 187 GLU A 216 HIS A 277 ASP A 278 TYR A  54	None	0.89A	3aicC-1lwhA: 5.6	3aicC-1lwhA: 19.39
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.	1m53	ISOMALTULOSE SYNTHASE (Klebsiella sp. LX3)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	7	ARG A 239 ASP A 241 GLU A 295 HIS A 368 ASP A 369 ASP A 102 TYR A 105	None	0.70A	3aicC-1m53A: 7.4	3aicC-1m53A: 21.65
Potential target for repurposing, i.e. matched protein structure has less than 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)	6	ARG A 239 GLU A 295 HIS A 368 ASP A 369 TYR A 105 GLN A 209	None	1.03A	3aicC-1m53A: 7.4	3aicC-1m53A: 21.65
Potential target for repurposing, i.e. matched protein structure has less than 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)	6	ARG A 196 ASP A 198 GLU A 222 HIS A 288 ASP A 289 TYR A  62	ZN  A 441 ( 4.8A) ZN  A 441 ( 4.2A) ZN  A 441 (-2.0A) None ZN  A 441 (-4.0A) None	0.63A	3aicC-1mwoA: 10.9	3aicC-1mwoA: 19.65
Potential target for repurposing, i.e. matched protein structure has less than 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)	7	ARG A 195 ASP A 197 ALA A 198 GLU A 233 HIS A 299 ASP A 300 TYR A  62	AC1  A 992 ( 3.7A) AC1  A 992 ( 3.3A) AC1  A 992 (-3.5A) AC1  A 992 ( 2.7A) AC1  A 992 ( 3.9A) AC1  A 992 (-3.0A) AC1  A 992 ( 3.6A)	0.69A	3aicC-1oseA: 4.3	3aicC-1oseA: 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.	1qho	ALPHA-AMYLASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG) PF02806 (Alpha-amylase_C)	7	ARG A 226 ASP A 228 ALA A 229 GLU A 256 HIS A 328 ASP A 329 TYR A  92	ABD  A1200 (-3.3A) ABD  A1200 (-3.1A) ABD  A1200 (-3.7A) ABD  A1200 (-2.9A) ABD  A1200 (-3.8A) ABD  A1200 (-2.9A) ABD  A1200 (-3.8A)	0.61A	3aicC-1qhoA: 9.9	3aicC-1qhoA: 25.14
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.	1sma	MALTOGENIC AMYLASE (Thermus sp. IM6501)	PF00128 (Alpha-amylase) PF02903 (Alpha-amylase_N) PF16657 (Malt_amylase_C)	6	ARG A 326 ASP A 328 GLU A 357 HIS A 423 ASP A 424 TYR A 207	None	0.92A	3aicC-1smaA: 9.7	3aicC-1smaA: 20.76
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.	1ua7	ALPHA-AMYLASE (Bacillus subtilis)	PF00128 (Alpha-amylase)	7	ARG A 174 ASP A 176 ALA A 177 GLU A 208 HIS A 268 ASP A 269 TYR A  62	ACI  A 504 (-3.5A) ACI  A 504 (-3.0A) G6D  A 505 (-3.4A) ACI  A 504 ( 2.9A) ACI  A 504 (-3.8A) ACI  A 504 ( 2.8A) ACI  A 504 ( 3.7A)	0.63A	3aicC-1ua7A: 9.6	3aicC-1ua7A: 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.	1ud3	AMYLASE (Bacillus sp. KSM-K38)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 229 ASP A 231 ALA A 232 GLU A 261 HIS A 327 ASP A 328 TYR A  56	None	0.61A	3aicC-1ud3A: 11.7	3aicC-1ud3A: 20.41
Potential target for repurposing, i.e. matched protein structure has less than 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)	7	ARG A 197 ASP A 199 GLU A 255 HIS A 328 ASP A 329 ASP A  60 TYR A  63	None	0.74A	3aicC-1uokA: 7.6	3aicC-1uokA: 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.	1vjs	ALPHA-AMYLASE (Bacillus licheniformis)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 229 ASP A 231 ALA A 232 GLU A 261 HIS A 327 ASP A 328 TYR A  56	None	0.66A	3aicC-1vjsA: 13.9	3aicC-1vjsA: 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.	1w9x	ALPHA AMYLASE (Bacillus halmapalus)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 234 ASP A 236 ALA A 237 GLU A 266 HIS A 332 ASP A 333 TYR A  58	AC1  A1492 (-3.3A) AC1  A1492 (-3.0A) AC1  A1492 (-3.8A) AC1  A1492 (-2.8A) AC1  A1492 (-3.9A) AC1  A1492 ( 3.0A) AC1  A1492 ( 3.9A)	0.60A	3aicC-1w9xA: 11.7	3aicC-1w9xA: 18.89
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.	2aaa	ALPHA-AMYLASE (Aspergillus niger)	PF00128 (Alpha-amylase) PF09260 (DUF1966)	6	ARG A 204 ASP A 206 GLU A 230 HIS A 296 ASP A 297 TYR A  82	CA  A 486 ( 4.5A) CA  A 486 (-3.0A) CA  A 486 (-2.5A) None CA  A 486 ( 4.6A) None	0.69A	3aicC-2aaaA: 3.6	3aicC-2aaaA: 23.19
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.	2bxy	MALTOOLIGOSYLTREHALO SE TREHALOHYDROLASE (Deinococcus radiodurans)	PF00128 (Alpha-amylase) PF02922 (CBM_48) PF11941 (DUF3459)	7	ARG A 273 ASP A 275 ALA A 276 GLU A 308 HIS A 399 ASP A 400 TYR A 177	None	0.68A	3aicC-2bxyA: 5.2	3aicC-2bxyA: 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.	2d3l	GLUCAN 1,4-ALPHA-MALTOHEXAO SIDASE (Bacillus sp. 707)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 234 ASP A 236 ALA A 237 GLU A 266 HIS A 332 ASP A 333 TYR A  58	None None None None None GLC  A 605 (-3.5A) GLC  A 605 (-4.8A)	0.63A	3aicC-2d3lA: 11.7	3aicC-2d3lA: 20.36
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.	2die	AMYLASE (Bacillus sp. (in: Bacteria))	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 234 ASP A 236 ALA A 237 GLU A 266 HIS A 332 ASP A 333 TYR A  58	None	0.85A	3aicC-2dieA: 11.7	3aicC-2dieA: 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.	2e8y	AMYX PROTEIN (Bacillus subtilis)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 404 ASP A 406 GLU A 435 HIS A 524 ASP A 525 TYR A 292	None	0.74A	3aicC-2e8yA: 6.9	3aicC-2e8yA: 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.	2gdu	SUCROSE PHOSPHORYLASE (Bifidobacterium adolescentis)	PF00128 (Alpha-amylase) PF09244 (DUF1964)	6	ARG A 190 ASP A 192 ALA A 193 HIS A 289 ASP A 290 ASP A  50	SUC  A2064 (-3.4A) SUC  A2064 (-3.1A) SUC  A2064 (-3.6A) SUC  A2064 (-3.7A) SUC  A2064 (-2.9A) SUC  A2064 (-2.6A)	0.66A	3aicC-2gduA: 4.9	3aicC-2gduA: 20.19
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.	2pwh	SUCROSE ISOMERASE ([Pseudomonas] mesoacidophila)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	7	ARG A 198 ASP A 200 GLU A 254 HIS A 326 ASP A 327 ASP A  61 TYR A  64	None	0.70A	3aicC-2pwhA: 5.3	3aicC-2pwhA: 21.50
Potential target for repurposing, i.e. matched protein structure has less than 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)	6	ARG A 178 ASP A 180 GLU A 205 HIS A 290 ASP A 291 TYR A  52	None	0.66A	3aicC-2qpsA: 9.5	3aicC-2qpsA: 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.	2vr5	GLYCOGEN OPERON PROTEIN GLGX (Sulfolobus solfataricus)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C) PF02922 (CBM_48)	6	ARG A 361 ASP A 363 GLU A 399 ARG A 425 HIS A 470 TYR A 244	A16  A1722 ( 3.6A) A16  A1722 (-1.8A) A16  A1722 (-4.0A) None A16  A1722 (-4.0A) A16  A1722 (-3.6A)	0.87A	3aicC-2vr5A: 7.4	3aicC-2vr5A: 22.82
Potential target for repurposing, i.e. matched protein structure has less than 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)	6	ARG A 361 ASP A 363 GLU A 399 HIS A 470 ASP A 471 TYR A 244	A16  A1722 ( 3.6A) A16  A1722 (-1.8A) A16  A1722 (-4.0A) A16  A1722 (-4.0A) A16  A1722 (-3.4A) A16  A1722 (-3.6A)	0.74A	3aicC-2vr5A: 7.4	3aicC-2vr5A: 22.82
Potential target for repurposing, i.e. matched protein structure has less than 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)	6	ARG A 620 ASP A 622 GLU A 651 ARG A 684 HIS A 735 TYR A 509	None	0.61A	3aicC-2wanA: 6.1	3aicC-2wanA: 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.	2wan	PULLULANASE (Bacillus acidopullulyticus)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 620 ASP A 622 GLU A 651 HIS A 735 ASP A 736 TYR A 509	None	0.58A	3aicC-2wanA: 6.1	3aicC-2wanA: 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.	2ya1	PUTATIVE ALKALINE AMYLOPULLULANASE (Streptococcus pneumoniae)	PF00128 (Alpha-amylase) PF02922 (CBM_48) PF03714 (PUD)	6	ARG A 776 ASP A 778 GLU A 807 HIS A 894 ASP A 895 TYR A 667	None BGC  A2144 (-2.8A) GLC  A2150 ( 4.5A) None GLC  A2150 ( 4.3A) BGC  A2144 (-4.5A)	0.62A	3aicC-2ya1A: 6.1	3aicC-2ya1A: 22.34
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.	2ya2	PUTATIVE ALKALINE AMYLOPULLULANASE (Streptococcus pneumoniae)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 321 ASP A 323 GLU A 352 HIS A 439 ASP A 440 TYR A 212	NOJ  A1689 (-3.5A) NOJ  A1689 (-2.8A) NOJ  A1689 (-3.0A) NOJ  A1689 (-3.8A) NOJ  A1689 (-2.9A) NOJ  A1689 ( 3.9A)	0.62A	3aicC-2ya2A: 3.8	3aicC-2ya2A: 22.84
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.	2yoc	PULLULANASE (Klebsiella oxytoca)	PF02922 (CBM_48) PF03714 (PUD) PF11852 (DUF3372)	6	ARG A 663 ASP A 665 GLU A 694 HIS A 821 ASP A 822 TYR A 547	None	0.41A	3aicC-2yocA: 4.5	3aicC-2yocA: 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.	2z1k	(NEO)PULLULANASE (Thermus thermophilus)	PF00128 (Alpha-amylase)	6	ARG A 200 ASP A 202 GLU A 232 HIS A 314 ASP A 315 TYR A  81	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) GLC  A 603 ( 4.0A)	0.67A	3aicC-2z1kA: 5.1	3aicC-2z1kA: 19.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3aib	GLUCOSYLTRANSFERASE- SI (Streptococcus mutans)	PF02324 (Glyco_hydro_70)	12	ARG A 475 ASP A 477 ALA A 478 ASN A 481 GLU A 515 ASN A 537 ARG A 540 HIS A 587 ASP A 588 ASP A 909 TYR A 916 GLN A 960	None	0.24A	3aicC-3aibA: 70.9	3aicC-3aibA: 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.	3axi	OLIGO-1,6-GLUCOSIDAS E IMA1 (Saccharomyces cerevisiae)	PF00128 (Alpha-amylase)	6	ARG A 213 ASP A 215 ASN A 302 HIS A 351 ASP A  69 TYR A  72	GLC  A 601 (-3.0A) GLC  A 601 (-2.9A) None GLC  A 601 (-3.9A) GLC  A 601 (-2.6A) GLC  A 601 (-3.7A)	0.87A	3aicC-3axiA: 4.6	3aicC-3axiA: 21.39
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.	3axi	OLIGO-1,6-GLUCOSIDAS E IMA1 (Saccharomyces cerevisiae)	PF00128 (Alpha-amylase)	6	ARG A 213 ASP A 215 HIS A 351 ASP A 352 ASP A  69 TYR A  72	GLC  A 601 (-3.0A) GLC  A 601 (-2.9A) GLC  A 601 (-3.9A) GLC  A 601 (-2.8A) GLC  A 601 (-2.6A) GLC  A 601 (-3.7A)	0.73A	3aicC-3axiA: 4.6	3aicC-3axiA: 21.39
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.	3bc9	ALPHA AMYLASE, CATALYTIC REGION (Halothermothrix orenii)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 348 ASP A 350 ALA A 351 GLU A 380 HIS A 446 ASP A 447 TYR A 184	ACI  A 806 (-3.3A) ACI  A 806 (-3.1A) GLD  A 807 (-3.6A) GLD  A 807 ( 2.8A) ACI  A 806 (-4.1A) ACI  A 806 (-2.9A) ACI  A 806 ( 4.0A)	0.56A	3aicC-3bc9A: 13.7	3aicC-3bc9A: 22.03
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.	3bc9	ALPHA AMYLASE, CATALYTIC REGION (Halothermothrix orenii)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 348 ASP A 350 GLU A 380 ARG A 409 HIS A 446 ASP A 447 TYR A 184	ACI  A 806 (-3.3A) ACI  A 806 (-3.1A) GLD  A 807 ( 2.8A) None ACI  A 806 (-4.1A) ACI  A 806 (-2.9A) ACI  A 806 ( 4.0A)	1.10A	3aicC-3bc9A: 13.7	3aicC-3bc9A: 22.03
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.	3bmw	CYCLOMALTODEXTRIN GLUCANOTRANSFERASE (Thermoanaerobacterium thermosulfurigenes)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG)	7	ARG A 228 ASP A 230 ALA A 231 GLU A 258 HIS A 328 ASP A 329 TYR A 101	ACI  A 694 (-3.4A) ACI  A 694 (-3.2A) G6D  A 693 (-3.5A) G6D  A 693 ( 2.8A) ACI  A 694 (-3.9A) ACI  A 694 ( 2.8A) ACI  A 694 ( 4.0A)	0.65A	3aicC-3bmwA: 9.7	3aicC-3bmwA: 23.79
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.	3dhu	ALPHA-AMYLASE (Lactobacillus plantarum)	PF00128 (Alpha-amylase)	6	ARG A 169 ASP A 171 GLU A 200 HIS A 276 ASP A 277 TYR A  67	None	0.72A	3aicC-3dhuA: 7.5	3aicC-3dhuA: 20.44
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.	3faw	RETICULOCYTE BINDING PROTEIN (Streptococcus agalactiae)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 800 ASP A 802 GLU A 831 HIS A 918 ASP A 919 TYR A 691	None	0.59A	3aicC-3fawA: 4.7	3aicC-3fawA: 24.40
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.	3gbd	SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER RUBRUM (Serratia plymuthica)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	7	ARG A 212 ASP A 214 GLU A 268 HIS A 341 ASP A 342 ASP A  75 TYR A  78	None EDO  A8003 ( 2.7A) EDO  A8001 (-3.1A) None EDO  A8002 ( 3.5A) EDO  A8003 (-2.8A) EDO  A8003 ( 4.4A)	0.72A	3aicC-3gbdA: 7.5	3aicC-3gbdA: 21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3gbd	SUCROSE ISOMERASE SMUA FROM PROTAMINOBACTER RUBRUM (Serratia plymuthica)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 212 GLU A 268 HIS A 341 ASP A 342 TYR A  78 GLN A 182	None EDO  A8001 (-3.1A) None EDO  A8002 ( 3.5A) EDO  A8003 ( 4.4A) None	1.03A	3aicC-3gbdA: 7.5	3aicC-3gbdA: 21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3hje	704AA LONG HYPOTHETICAL GLYCOSYLTRANSFERASE (Sulfurisphaera tokodaii)	PF00128 (Alpha-amylase) PF09196 (DUF1953)	6	ARG A 220 ASP A 222 GLU A 249 HIS A 440 ASP A 441 TYR A  48	None GOL  A 802 (-2.8A) GOL  A 804 (-3.8A) None GOL  A 802 ( 3.7A) GOL  A 802 ( 4.3A)	0.72A	3aicC-3hjeA: 4.5	3aicC-3hjeA: 21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3k1d	1,4-ALPHA-GLUCAN-BRA NCHING ENZYME (Mycobacterium tuberculosis)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C) PF02922 (CBM_48)	6	ARG A 409 ASP A 411 ALA A 412 HIS A 531 ASP A 532 TYR A 306	None	0.98A	3aicC-3k1dA: 2.6	3aicC-3k1dA: 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.	3k8k	ALPHA-AMYLASE, SUSG (Bacteroides thetaiotaomicron)	PF00128 (Alpha-amylase)	7	ARG A 386 ASP A 388 ALA A 389 GLU A 431 HIS A 497 ASP A 498 TYR A 114	None ACT  A 961 (-2.8A) ACT  A 961 ( 4.2A) ACT  A 961 ( 4.3A) None EDO  A 901 (-4.4A) ACT  A 961 ( 4.4A)	0.66A	3aicC-3k8kA: 6.7	3aicC-3k8kA: 23.33
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.	3m07	PUTATIVE ALPHA AMYLASE (Salmonella enterica)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	6	ARG A 259 ASP A 261 ALA A 262 ASN A 321 HIS A 392 TYR A 163	None BTB  A 605 (-2.9A) BTB  A 605 (-3.6A) None BTB  A 605 (-4.1A) BTB  A 605 (-3.6A)	0.85A	3aicC-3m07A: 6.3	3aicC-3m07A: 20.55
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.	3m07	PUTATIVE ALPHA AMYLASE (Salmonella enterica)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	6	ARG A 259 ASP A 261 ALA A 262 GLU A 296 ASN A 321 HIS A 392	None BTB  A 605 (-2.9A) BTB  A 605 (-3.6A) MG  A 597 (-3.9A) None BTB  A 605 (-4.1A)	1.02A	3aicC-3m07A: 6.3	3aicC-3m07A: 20.55
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.	3m07	PUTATIVE ALPHA AMYLASE (Salmonella enterica)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	6	ARG A 259 ASP A 261 ALA A 262 HIS A 392 ASP A 393 TYR A 163	None BTB  A 605 (-2.9A) BTB  A 605 (-3.6A) BTB  A 605 (-4.1A) BTB  A 605 (-4.1A) BTB  A 605 (-3.6A)	0.78A	3aicC-3m07A: 6.3	3aicC-3m07A: 20.55
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.	3qgv	ALPHA AMYLASE (Pyrococcus woesei)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	6	ARG A 196 ASP A 198 GLU A 222 HIS A 288 ASP A 289 TYR A  62	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) TRS  A 505 (-4.0A)	0.63A	3aicC-3qgvA: 10.9	3aicC-3qgvA: 20.37
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.	3ucq	AMYLOSUCRASE (Deinococcus geothermalis)	PF00128 (Alpha-amylase)	8	ARG A 282 ASP A 284 ALA A 285 GLU A 326 HIS A 395 ASP A 396 ASP A 137 TYR A 140	GOL  A 721 (-3.4A) GOL  A 720 (-3.0A) None TRS  A 700 (-4.2A) GOL  A 721 (-4.6A) TRS  A 700 (-3.1A) GOL  A 720 (-2.6A) GOL  A 720 (-4.0A)	0.67A	3aicC-3ucqA: 6.0	3aicC-3ucqA: 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.	3vgf	MALTO-OLIGOSYLTREHAL OSE TREHALOHYDROLASE (Sulfolobus solfataricus)	PF00128 (Alpha-amylase) PF09071 (Alpha-amyl_C)	6	ARG A 250 ALA A 253 GLU A 283 HIS A 376 ASP A 377 TYR A 152	GLC  A 604 (-3.1A) GLC  A 604 (-4.1A) GLC  A 604 (-2.6A) GLC  A 604 (-4.0A) GLC  A 604 (-2.7A) GLC  A 604 ( 3.5A)	0.71A	3aicC-3vgfA: 5.3	3aicC-3vgfA: 22.53
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.	3vm5	ALPHA-AMYLASE (Oryzias latipes)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C)	7	ARG A 195 ASP A 197 ALA A 198 GLU A 233 HIS A 299 ASP A 300 TYR A  62	CL  A 507 (-3.9A) None None None None None None	0.66A	3aicC-3vm5A: 11.3	3aicC-3vm5A: 19.95
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.	3vm7	ALPHA-AMYLASE (Malbranchea cinnamomea)	PF00128 (Alpha-amylase) PF09260 (DUF1966)	6	ARG A 223 ASP A 225 GLU A 249 HIS A 315 ASP A 316 TYR A 102	None GLC  A 503 (-3.5A) GLC  A 503 (-2.6A) None GLC  A 503 (-3.0A) None	0.62A	3aicC-3vm7A: 4.7	3aicC-3vm7A: 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.	3wdj	TYPE I PULLULANASE (Anoxybacillus sp. LM18-11)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 411 ASP A 413 GLU A 442 ARG A 475 HIS A 525 TYR A 299	MTT  A 802 (-3.4A) MTT  A 802 (-2.8A) MTT  A 802 (-3.0A) MTT  A 801 (-3.1A) MTT  A 802 (-3.9A) MTT  A 802 (-4.0A)	0.71A	3aicC-3wdjA: 3.4	3aicC-3wdjA: 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.	3wdj	TYPE I PULLULANASE (Anoxybacillus sp. LM18-11)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 411 ASP A 413 GLU A 442 HIS A 525 ASP A 526 TYR A 299	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) MTT  A 802 (-4.0A)	0.60A	3aicC-3wdjA: 3.4	3aicC-3wdjA: 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.	3wn6	ALPHA-AMYLASE (Oryza sativa)	PF00128 (Alpha-amylase) PF07821 (Alpha-amyl_C2)	6	ARG A 201 ASP A 203 GLU A 228 HIS A 313 ASP A 314 TYR A  76	None GOL  A 505 (-3.4A) None GOL  A 505 (-4.3A) GOL  A 505 (-2.9A) GOL  A 505 (-3.9A)	0.61A	3aicC-3wn6A: 10.3	3aicC-3wn6A: 19.86
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.	3wy2	ALPHA-GLUCOSIDASE (Halomonas sp. H11)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	7	ARG A 200 ASP A 202 GLU A 271 HIS A 332 ASP A 333 ASP A  62 TYR A  65	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) BGC  A 605 (-2.7A) BGC  A 605 (-3.7A)	0.68A	3aicC-3wy2A: 6.2	3aicC-3wy2A: 20.47
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.	3wy2	ALPHA-GLUCOSIDASE (Halomonas sp. H11)	PF00128 (Alpha-amylase) PF11941 (DUF3459)	6	ARG A 200 GLU A 271 HIS A 332 ASP A 333 TYR A  65 GLN A 170	BGC  A 605 (-3.0A) BGC  A 605 (-3.3A) BGC  A 605 (-3.9A) BGC  A 605 (-2.9A) BGC  A 605 (-3.7A) BGC  A 605 ( 4.2A)	0.92A	3aicC-3wy2A: 6.2	3aicC-3wy2A: 20.47
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.	4aee	ALPHA AMYLASE, CATALYTIC REGION (Staphylothermus marinus)	PF00128 (Alpha-amylase)	7	ARG A 440 ASP A 442 GLU A 471 ARG A 492 HIS A 535 ASP A 536 TYR A 296	None	1.16A	3aicC-4aeeA: 4.1	3aicC-4aeeA: 20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4aef	NEOPULLULANASE (ALPHA-AMYLASE II) (Pyrococcus furiosus)	PF00128 (Alpha-amylase) PF02903 (Alpha-amylase_N) PF16561 (AMPK1_CBM)	6	ARG A 409 ASP A 411 GLU A 437 HIS A 501 ASP A 502 TYR A 270	None	0.79A	3aicC-4aefA: 7.1	3aicC-4aefA: 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.	4aie	GLUCAN 1,6-ALPHA-GLUCOSIDAS E (Lactobacillus acidophilus)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	7	ARG A 196 ASP A 198 GLU A 240 HIS A 315 ASP A 316 ASP A  59 TYR A  62	GOL  A1542 ( 4.4A) GOL  A1542 (-2.7A) GOL  A1542 ( 3.6A) None GOL  A1548 (-3.5A) GOL  A1542 (-2.1A) GOL  A1542 (-3.6A)	0.68A	3aicC-4aieA: 4.0	3aicC-4aieA: 20.25
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.	4aie	GLUCAN 1,6-ALPHA-GLUCOSIDAS E (Lactobacillus acidophilus)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 196 GLU A 240 HIS A 315 ASP A 316 TYR A  62 GLN A 166	GOL  A1542 ( 4.4A) GOL  A1542 ( 3.6A) None GOL  A1548 (-3.5A) GOL  A1542 (-3.6A) GOL  A1542 ( 3.5A)	0.96A	3aicC-4aieA: 4.0	3aicC-4aieA: 20.25
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.	4aio	LIMIT DEXTRINASE (Hordeum vulgare)	PF02922 (CBM_48) PF11852 (DUF3372)	6	ARG A 471 ASP A 473 GLU A 510 HIS A 641 ASP A 642 TYR A 357	None GOL  A1888 (-3.0A) GOL  A1888 ( 4.9A) None None GOL  A1888 (-3.9A)	0.37A	3aicC-4aioA: 5.3	3aicC-4aioA: 22.05
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.	4aio	LIMIT DEXTRINASE (Hordeum vulgare)	PF02922 (CBM_48) PF11852 (DUF3372)	6	ARG A 471 GLU A 510 ARG A 544 HIS A 641 ASP A 642 TYR A 357	None GOL  A1888 ( 4.9A) None None None GOL  A1888 (-3.9A)	0.81A	3aicC-4aioA: 5.3	3aicC-4aioA: 22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4amc	GLUCANSUCRASE (Lactobacillus reuteri)	PF01473 (CW_binding_1) PF02324 (Glyco_hydro_70)	10	ARG A1022 ASP A1024 ALA A1025 ASN A1028 GLU A1061 HIS A1132 ASP A1133 ASP A1463 TYR A1470 GLN A1514	None	0.43A	3aicC-4amcA: 61.4	3aicC-4amcA: 44.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ayg	GLUCANSUCRASE (Lactobacillus reuteri)	PF01473 (CW_binding_1) PF02324 (Glyco_hydro_70)	11	ARG A1023 ASP A1025 ALA A1026 ASN A1029 GLU A1063 ARG A1088 HIS A1135 ASP A1136 ASP A1458 TYR A1465 GLN A1509	GOL  A2791 (-3.8A) GOL  A2773 ( 2.9A) GOL  A2791 (-3.6A) GOL  A2791 (-4.6A) GOL  A2791 (-3.4A) ACY  A2820 (-2.8A) None GOL  A2791 (-4.3A) GOL  A2773 (-2.8A) GOL  A2773 ( 4.1A) GOL  A2773 (-3.0A)	0.59A	3aicC-4aygA: 55.7	3aicC-4aygA: 43.17
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.	4e2o	ALPHA-AMYLASE (Geobacillus thermoleovorans)	PF00128 (Alpha-amylase)	6	ARG A 215 ASP A 217 GLU A 246 HIS A 313 ASP A 314 TYR A 104	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) ACI  A 505 (-4.1A)	0.65A	3aicC-4e2oA: 9.9	3aicC-4e2oA: 19.16
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.	4hoz	SUCROSE ISOMERASE (Erwinia rhapontici)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 239 GLU A 295 HIS A 368 ASP A 369 ASP A 102 TYR A 105	GLC  A 703 (-2.9A) GLC  A 703 ( 2.8A) GLC  A 703 (-4.0A) GLC  A 703 ( 2.8A) GLC  A 703 (-2.7A) GLC  A 703 (-3.5A)	0.73A	3aicC-4hozA: 3.4	3aicC-4hozA: 20.70
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.	4hoz	SUCROSE ISOMERASE (Erwinia rhapontici)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 239 GLU A 295 HIS A 368 ASP A 369 TYR A 105 GLN A 209	GLC  A 703 (-2.9A) GLC  A 703 ( 2.8A) GLC  A 703 (-4.0A) GLC  A 703 ( 2.8A) GLC  A 703 (-3.5A) GLC  A 703 (-3.8A)	0.99A	3aicC-4hozA: 3.4	3aicC-4hozA: 20.70
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.	4jcl	CYCLOMALTODEXTRIN GLUCANOTRANSFERASE (Paenibacillus macerans)	PF00128 (Alpha-amylase) PF00686 (CBM_20) PF01833 (TIG)	6	ARG A 227 ASP A 229 ALA A 230 HIS A 328 ASP A 329 TYR A 100	EDO  A 718 ( 4.8A) GOL  A 711 (-2.8A) GOL  A 711 ( 3.8A) EDO  A 718 ( 3.9A) None GOL  A 711 ( 4.0A)	0.87A	3aicC-4jclA: 5.9	3aicC-4jclA: 24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4lq1	1,4-ALPHA-GLUCAN BRANCHING ENZYME GLGB (Escherichia coli)	PF00128 (Alpha-amylase) PF02806 (Alpha-amylase_C) PF02922 (CBM_48)	6	ARG A 403 ASP A 405 ALA A 406 HIS A 525 ASP A 526 TYR A 300	None	0.90A	3aicC-4lq1A: 5.7	3aicC-4lq1A: 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.	4m8u	OLIGO-1,6-GLUCOSIDAS E 1 (Bacillus subtilis)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	8	ARG A 197 ASP A 199 ALA A 200 GLU A 255 HIS A 331 ASP A 332 ASP A  59 TYR A  62	TRS  A 601 ( 4.8A) TRS  A 601 (-2.7A) TRS  A 601 ( 4.0A) TRS  A 601 ( 2.7A) None GOL  A 602 (-2.8A) TRS  A 601 (-2.8A) TRS  A 601 (-3.6A)	0.68A	3aicC-4m8uA: 3.8	3aicC-4m8uA: 21.31
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.	4m8u	OLIGO-1,6-GLUCOSIDAS E 1 (Bacillus subtilis)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 197 GLU A 255 HIS A 331 ASP A 332 TYR A  62 GLN A 167	TRS  A 601 ( 4.8A) TRS  A 601 ( 2.7A) None GOL  A 602 (-2.8A) TRS  A 601 (-3.6A) TRS  A 601 ( 4.3A)	0.89A	3aicC-4m8uA: 3.8	3aicC-4m8uA: 21.31
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.	4okd	ISOAMYLASE (Chlamydomonas reinhardtii)	PF00128 (Alpha-amylase) PF02922 (CBM_48)	6	ARG A 450 ASP A 452 GLU A 527 HIS A 619 ASP A 620 TYR A 331	GLC  A1001 (-3.3A) GLC  A1001 (-2.0A) GLC  A1001 (-3.2A) GLC  A1001 (-4.0A) GLC  A1001 (-2.7A) GLC  A1001 ( 3.8A)	0.72A	3aicC-4okdA: 5.3	3aicC-4okdA: 22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4tvc	DEXTRANSUCRASE (Leuconostoc mesenteroides)	PF02324 (Glyco_hydro_70)	9	ARG A2208 ASP A2210 ALA A2211 GLU A2248 HIS A2321 ASP A2322 ASP A2643 TYR A2650 GLN A2694	None GOL  A3008 (-2.7A) GOL  A3008 ( 3.8A) GOL  A3008 ( 4.5A) None None GOL  A3008 (-2.6A) GOL  A3008 (-3.3A) GOL  A3008 (-3.2A)	0.27A	3aicC-4tvcA: 49.4	3aicC-4tvcA: 38.87
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.	4uzu	ALPHA-AMYLASE (Geobacillus stearothermophilus)	PF00128 (Alpha-amylase) PF09154 (DUF1939)	7	ARG A 230 ASP A 232 ALA A 233 GLU A 262 HIS A 328 ASP A 329 TYR A  57	NA  A1490 ( 4.1A) NA  A1490 (-2.9A) NA  A1490 ( 4.2A) NA  A1490 (-2.7A) None NA  A1490 ( 4.5A) None	0.61A	3aicC-4uzuA: 11.7	3aicC-4uzuA: 21.15
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.	4xb3	GLUCAN 1,6-ALPHA-GLUCOSIDAS E (Streptococcus mutans)	PF00128 (Alpha-amylase) PF16657 (Malt_amylase_C)	6	ARG A 192 ASP A 194 HIS A 312 ASP A 313 ASP A  60 TYR A  63	None	0.71A	3aicC-4xb3A: 2.2	3aicC-4xb3A: 21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5a2a	APO FORM OF ANOXYBACILLUS ALPHA-AMYLASES (Anoxybacillus ayderensis)	PF00128 (Alpha-amylase)	6	ARG A 211 ASP A 213 GLU A 242 HIS A 309 ASP A 310 TYR A 100	ACT  A1479 ( 4.9A) ACT  A1479 (-2.6A) ACT  A1479 ( 4.5A) None ACT  A1479 ( 4.9A) ACT  A1479 (-3.9A)	0.67A	3aicC-5a2aA: 8.0	3aicC-5a2aA: 20.53
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.	5do8	LMO0184 PROTEIN (Listeria monocytogenes)	no annotation	7	ARG B 195 ASP B 197 GLU B 254 HIS B 327 ASP B 328 ASP B  61 TYR B  64	BGC  B 601 (-3.4A) BGC  B 601 (-3.7A) BGC  B 601 ( 2.7A) BGC  B 601 (-3.9A) BGC  B 601 ( 2.8A) BGC  B 601 (-2.8A) BGC  B 601 (-3.8A)	1.15A	3aicC-5do8B: 6.4	3aicC-5do8B: 19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5jbe	INACTIVE GLUCANSUCRASE (Lactobacillus reuteri)	PF02324 (Glyco_hydro_70)	9	ARG A1013 ASP A1015 ALA A1016 ASN A1019 GLU A1053 HIS A1124 ASP A1125 TYR A1439 GLN A1484	None None None None None None GLC  A1711 ( 3.2A) GLC  A1711 ( 4.4A) None	0.62A	3aicC-5jbeA: 52.7	3aicC-5jbeA: 40.59
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.	5m99	ALPHA-AMYLASE (Thermotoga petrophila)	PF00128 (Alpha-amylase)	7	ARG B 211 ASP B 213 ALA B 214 GLU B 253 HIS B 304 ASP B 305 TYR B  83	K  B 605 ( 4.8A) EDO  B 616 ( 2.8A) EDO  B 616 ( 4.7A) K  B 605 ( 4.7A) None K  B 605 ( 4.7A) K  B 605 ( 3.2A)	0.63A	3aicC-5m99B: 7.6	3aicC-5m99B: 21.11
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.	5n6v	AMYLOSUCRASE (Neisseria polysaccharea)	no annotation	8	ARG A 284 ASP A 286 ALA A 287 GLU A 328 HIS A 392 ASP A 393 ASP A 144 TYR A 147	TRS  A 701 ( 4.6A) TRS  A 701 (-2.8A) TRS  A 701 ( 4.0A) TRS  A 701 (-2.8A) None TRS  A 701 ( 4.6A) TRS  A 701 (-2.8A) TRS  A 701 (-3.5A)	0.67A	3aicC-5n6vA: 6.3	3aicC-5n6vA: 6.89
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.	5n6v	AMYLOSUCRASE (Neisseria polysaccharea)	no annotation	6	ARG A 284 GLU A 328 HIS A 392 ASP A 393 TYR A 147 GLN A 254	TRS  A 701 ( 4.6A) TRS  A 701 (-2.8A) None TRS  A 701 ( 4.6A) TRS  A 701 (-3.5A) TRS  A 701 (-4.2A)	1.03A	3aicC-5n6vA: 6.3	3aicC-5n6vA: 6.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5ngy	DSR-M GLUCANSUCRASE INACTIVE MUTANT E715Q (Leuconostoc citreum)	no annotation	9	ARG A 675 ASP A 677 ALA A 678 ASN A 681 HIS A 789 ASP A 790 ASP A1118 TYR A1127 GLN A1183	None	0.36A	3aicC-5ngyA: 57.7	3aicC-5ngyA: 39.64
Potential target for repurposing, i.e. matched protein structure has less than 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	6	ARG A 501 ASP A 503 GLU A 534 HIS A 600 ASP A 601 TYR A 383	None	0.78A	3aicC-5ot1A: 8.0	3aicC-5ot1A: 7.12
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.	5ww1	PULULLANASE (Paenibacillus barengoltzii)	no annotation	6	ARG A 371 ASP A 373 GLU A 402 HIS A 492 ASP A 493 TYR A 259	None None GLC  A 701 ( 4.8A) None GLC  A 701 ( 4.6A) None	0.60A	3aicC-5ww1A: 7.3	3aicC-5ww1A: 6.16
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.	5x7u	TREHALOSE SYNTHASE (Thermobaculum terrenum)	no annotation	8	ARG A 200 ASP A 202 ALA A 203 GLU A 244 HIS A 309 ASP A 310 ASP A  62 TYR A  65	TRS  A 600 ( 4.8A) TRS  A 600 (-2.8A) TRS  A 600 ( 3.7A) TRS  A 600 (-2.7A) None TRS  A 600 ( 4.7A) TRS  A 600 (-3.0A) TRS  A 600 (-3.5A)	0.66A	3aicC-5x7uA: 4.6	3aicC-5x7uA: 7.40
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.	5x7u	TREHALOSE SYNTHASE (Thermobaculum terrenum)	no annotation	6	ARG A 200 GLU A 244 HIS A 309 ASP A 310 TYR A  65 GLN A 170	TRS  A 600 ( 4.8A) TRS  A 600 (-2.7A) None TRS  A 600 ( 4.7A) TRS  A 600 (-3.5A) TRS  A 600 ( 4.5A)	1.00A	3aicC-5x7uA: 4.6	3aicC-5x7uA: 7.40
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.	5z0u	NEOPULLULANASE 1 (Thermoactinomyces vulgaris)	no annotation	7	ARG A 354 ASP A 356 ALA A 357 GLU A 396 HIS A 471 ASP A 472 TYR A 223	None	0.68A	3aicC-5z0uA: 6.4	3aicC-5z0uA: 6.78