SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x40'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1E7A_B_PFLB4002_1
(SERUM ALBUMIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 LEU A 672
VAL A 670
VAL A 634
GLN A 636
 None
 1.05A 1e7aB-2x40A:
undetectable		 1e7aB-2x40A:
23.09
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.
1FDW_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 VAL A 166
LEU A 186
VAL A 228
PHE A 165
GLU A 195
 BR  A1724 ( 4.7A)
None
None
None
None
 1.35A 1fdwA-2x40A:
4.5		 1fdwA-2x40A:
18.34
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 116
GLY A 159
ALA A 160
SER A 205
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 1.10A 1fe2A-2x40A:
undetectable		 1fe2A-2x40A:
20.52
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 332
GLY A 335
ALA A  88
LEU A  87
ASP A 531
 None
 1.20A 1i9gA-2x40A:
2.0		 1i9gA-2x40A:
18.82
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 ASN A 131
ILE A  85
GLY A 500
GLU A 458
GLY A 371
 None
None
BR  A1723 (-3.6A)
GOL  A1726 ( 4.7A)
None
 1.27A 1mehA-2x40A:
5.0		 1mehA-2x40A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 LEU A 516
GLY A 514
ILE A 353
VAL A 447
 None
 0.81A 1p2yA-2x40A:
undetectable		 1p2yA-2x40A:
21.02
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 ALA A 119
TYR A 134
GLY A 371
GLY A 457
 None
 0.87A 1rukH-2x40A:
4.5
1rukL-2x40A:
undetectable		 1rukH-2x40A:
15.58
1rukL-2x40A:
15.22
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.
1SBR_B_VIBB503_1
(YKOF)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 SER A 483
ILE A 452
ILE A 450
THR A 481
 None
 1.00A 1sbrB-2x40A:
undetectable		 1sbrB-2x40A:
13.87
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.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.32A 1v8bD-2x40A:
undetectable		 1v8bD-2x40A:
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 ASP A 584
TYR A 583
GLU A 137
 None
 0.84A 1vm1A-2x40A:
undetectable		 1vm1A-2x40A:
17.35
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.
2QD5_A_CHDA701_0
(FERROCHELATASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 LEU A 116
PRO A  26
SER A  34
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
 1.01A 2qd5A-2x40A:
2.3		 2qd5A-2x40A:
19.05
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.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 LEU A 116
PRO A  26
SER A  34
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
 0.96A 2qd5B-2x40A:
undetectable		 2qd5B-2x40A:
19.05
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.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 543
PHE A 547
ILE A  85
ALA A  88
THR A  90
 None
 1.23A 2v0mC-2x40A:
undetectable		 2v0mC-2x40A:
21.64
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 ILE A 381
LEU A 533
VAL A 451
VAL A 518
ILE A 537
 None
 1.17A 2vn0A-2x40A:
undetectable		 2vn0A-2x40A:
20.08
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.
2W98_B_P1ZB1357_1
(PROSTAGLANDIN
REDUCTASE 2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 TYR A 190
LEU A 213
ASN A 211
ASP A 242
 None
None
None
GOL  A1726 (-4.0A)
 1.41A 2w98A-2x40A:
2.6
2w98B-2x40A:
undetectable		 2w98A-2x40A:
18.67
2w98B-2x40A:
18.67
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 LEU A 608
TYR A 621
GLN A 620
 None
 0.73A 2wekA-2x40A:
undetectable		 2wekA-2x40A:
20.64
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.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 332
GLY A 335
ALA A  88
LEU A  87
ASP A 531
 None
 1.11A 2yvlD-2x40A:
undetectable		 2yvlD-2x40A:
17.11
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 TYR A 210
ARG A 174
GLU A 458
SER A 370
 None
None
GOL  A1726 ( 4.7A)
GOL  A1726 (-3.4A)
 1.22A 2zt7A-2x40A:
undetectable		 2zt7A-2x40A:
23.34
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 MET A 103
ALA A  57
THR A  78
PHE A 149
GLY A 111
 None
 1.49A 3aodC-2x40A:
undetectable		 3aodC-2x40A:
21.69
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.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 5 VAL A 671
PHE A 656
ARG A 618
ARG A 622
 None
 1.29A 3bjwE-2x40A:
undetectable		 3bjwE-2x40A:
10.80
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 VAL A 671
PHE A 656
ARG A 618
ARG A 622
 None
 1.23A 3bjwF-2x40A:
undetectable		 3bjwF-2x40A:
10.80
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.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 GLY A 100
THR A  79
GLU A  97
GLU A 334
 None
 1.07A 3fpjA-2x40A:
2.9		 3fpjA-2x40A:
18.70
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.21A 3g1uA-2x40A:
undetectable		 3g1uA-2x40A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.25A 3g1uC-2x40A:
undetectable		 3g1uC-2x40A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.21A 3g1uD-2x40A:
undetectable		 3g1uD-2x40A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 LEU A 116
PRO A  26
SER A  34
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
 0.90A 3hcnA-2x40A:
2.4		 3hcnA-2x40A:
19.05
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 LEU A 116
PRO A  26
SER A  34
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
 1.00A 3hcrA-2x40A:
2.1		 3hcrA-2x40A:
19.05
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 LEU A 116
PRO A  26
SER A  34
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
 1.00A 3hcrB-2x40A:
2.5		 3hcrB-2x40A:
19.05
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 ARG A 629
SER A 348
LEU A 516
ILE A 353
 None
 0.96A 3ln1C-2x40A:
undetectable		 3ln1C-2x40A:
21.34
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 357
GLY A 359
ILE A 361
GLU A 475
TYR A 403
 None
 1.07A 3o7wA-2x40A:
undetectable		 3o7wA-2x40A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 LYS A 427
ARG A 454
ASP A 477
 None
 1.20A 3o7wA-2x40A:
undetectable		 3o7wA-2x40A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 332
SER A  89
MET A  86
GLU A 524
ALA A 521
 None
 1.08A 3sxjA-2x40A:
undetectable		 3sxjA-2x40A:
15.16
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.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 332
SER A  89
MET A  86
GLU A 524
ALA A 521
 None
 1.08A 3sxjB-2x40A:
undetectable		 3sxjB-2x40A:
15.16
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 332
SER A  89
MET A  86
GLU A 524
ALA A 521
 None
 1.07A 3t7sC-2x40A:
undetectable		 3t7sC-2x40A:
16.42
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 TYR A 572
GLU A 137
TYR A 580
PRO A 502
 None
 1.17A 3ugrA-2x40A:
6.1		 3ugrA-2x40A:
19.58
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.
4ACB_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 THR A 363
GLY A 359
ILE A 404
LEU A 382
 None
 1.03A 4acbC-2x40A:
undetectable		 4acbC-2x40A:
22.24
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.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 GLU A 109
GLU A 106
GLY A 157
ARG A 108
 None
 0.97A 4fgzA-2x40A:
undetectable		 4fgzA-2x40A:
17.48
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 8 LEU A 116
PRO A  26
SER A  34
VAL A  21
GLY A  22
 GOL  A1726 ( 4.8A)
None
None
None
None
 1.44A 4klrB-2x40A:
undetectable		 4klrB-2x40A:
19.33
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.
4LZR_A_LOCA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 LEU A  11
LEU A   8
ASP A 258
ILE A 300
 None
 0.88A 4lzrA-2x40A:
undetectable		 4lzrA-2x40A:
12.52
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.
4NJT_B_017B101_2
(PROTEASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 LEU A  87
GLY A 522
ALA A 521
VAL A 336
THR A  90
 None
 1.00A 4njtB-2x40A:
undetectable		 4njtB-2x40A:
8.76
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.
4NJT_D_017D101_2
(PROTEASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 9 LEU A  87
GLY A 522
ALA A 521
VAL A 336
THR A  90
 None
 1.00A 4njtD-2x40A:
undetectable		 4njtD-2x40A:
8.76
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 LEU A 304
ASN A 299
VAL A  20
LEU A 253
LEU A 293
 None
 1.19A 4po0A-2x40A:
undetectable		 4po0A-2x40A:
22.16
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.
4XJ7_A_ADNA303_1
(5'/3'-NUCLEOTIDASE
SURE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 GLY A 595
TYR A 596
ALA A 591
PRO A 590
LEU A 543
 None
 1.03A 4xj7A-2x40A:
2.8
4xj7B-2x40A:
2.8		 4xj7A-2x40A:
16.76
4xj7B-2x40A:
16.76
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.
4XJ7_D_ADND303_1
(5'/3'-NUCLEOTIDASE
SURE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 10 LEU A 543
GLY A 595
TYR A 596
ALA A 591
PRO A 590
 None
 1.13A 4xj7C-2x40A:
2.8
4xj7D-2x40A:
3.1		 4xj7C-2x40A:
16.76
4xj7D-2x40A:
16.76
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.
4ZJ8_A_SUVA2001_1
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 SER A 635
VAL A 634
GLU A 144
HIS A 657
TYR A 621
 None
 1.08A 4zj8A-2x40A:
undetectable		 4zj8A-2x40A:
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.
5E5J_A_017A201_2
(PROTEASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 116
GLY A 159
ALA A 160
ILE A 162
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 0.85A 5e5jB-2x40A:
undetectable		 5e5jB-2x40A:
8.76
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A  22
PHE A 149
GLY A 100
GLY A 104
PHE A 238
 None
 1.02A 5eqbA-2x40A:
undetectable		 5eqbA-2x40A:
21.62
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.
5FPD_A_PZAA1385_0
(HEAT SHOCK-RELATED
70KDA PROTEIN 2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 VAL A  55
ALA A  57
VAL A  36
ARG A  35
 None
 0.90A 5fpdA-2x40A:
undetectable		 5fpdA-2x40A:
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.
5GQB_A_GCSA602_1
(CHITINASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 TRP A 687
GLU A 195
ASP A 678
 None
 0.97A 5gqbA-2x40A:
3.4		 5gqbA-2x40A:
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 500
PHE A 132
GLY A 457
GLY A 522
VAL A  83
 BR  A1723 (-3.6A)
None
None
None
None
 0.98A 5i73A-2x40A:
undetectable		 5i73A-2x40A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 VAL A  55
ASP A 113
SER A  34
THR A 373
ARG A  69
 None
 1.34A 5m50B-2x40A:
4.6		 5m50B-2x40A:
19.68
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 VAL A  55
ASP A 113
SER A  34
THR A 373
ARG A  69
 None
 1.32A 5m50E-2x40A:
4.6		 5m50E-2x40A:
19.68
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		6 / 12 ASP A  58
ARG A 130
LYS A 163
HIS A 164
MET A 207
GLU A 458
 GOL  A1726 (-3.1A)
GOL  A1726 ( 3.9A)
GOL  A1726 (-2.9A)
GOL  A1726 (-4.6A)
GOL  A1726 ( 4.0A)
GOL  A1726 ( 4.7A)
 0.37A 5m6gA-2x40A:
35.3		 5m6gA-2x40A:
28.02
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.
5QJQ_C_K1SC305_0
(ADP-SUGAR
PYROPHOSPHATASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 5 GLU A 504
TRP A 508
VAL A 506
LEU A 339
 None
 1.46A 5qjqC-2x40A:
0.0
5qjqD-2x40A:
0.0		 5qjqC-2x40A:
14.19
5qjqD-2x40A:
14.19
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.
5T8H_B_478B401_2
(PROTEASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 LEU A 116
GLY A 159
ALA A 160
ILE A 162
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 0.79A 5t8hB-2x40A:
undetectable		 5t8hB-2x40A:
8.76
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 GLY A 359
VAL A  83
THR A 525
GLY A 522
ILE A 452
 None
 0.99A 5tuiB-2x40A:
undetectable		 5tuiB-2x40A:
20.46
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.
5TZO_A_7V7A202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 VAL A  36
ALA A  40
TYR A 315
ALA A  39
GLY A  38
 None
GOL  A1726 ( 4.0A)
None
None
None
 1.30A 5tzoA-2x40A:
undetectable		 5tzoA-2x40A:
14.41
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.
5TZO_C_7V7C201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 VAL A  36
ALA A  40
TYR A 315
ALA A  39
GLY A  38
 None
GOL  A1726 ( 4.0A)
None
None
None
 1.29A 5tzoC-2x40A:
undetectable		 5tzoC-2x40A:
14.41
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 7 ARG A  64
ASP A  58
LEU A 116
SER A 241
 None
GOL  A1726 (-3.1A)
GOL  A1726 ( 4.8A)
None
 0.99A 5uxcA-2x40A:
undetectable		 5uxcA-2x40A:
18.81
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.
5VLM_F_CVIF301_1
(REGULATORY PROTEIN
TETR)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 ILE A 499
TYR A 592
TRP A 508
VAL A 495
 None
 0.90A 5vlmF-2x40A:
undetectable		 5vlmF-2x40A:
14.04
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 6 LYS A 440
LEU A 441
PHE A 356
LEU A 396
 None
 1.22A 5x19P-2x40A:
undetectable		 5x19P-2x40A:
16.36
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 12 ILE A 499
ASP A 468
LEU A 517
THR A 545
LEU A 543
 None
 1.17A 6b54A-2x40A:
2.1		 6b54A-2x40A:
14.60
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.
6EF6_A_BEZA401_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 9 LEU A 471
SER A 472
ILE A 479
VAL A 495
ILE A 452
 None
 0.99A 6ef6A-2x40A:
undetectable		 6ef6A-2x40A:
17.82
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.
6G1P_B_ACTB403_0
(ADP-RIBOSYLHYDROLASE
LIKE 2)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 PHE A 559
ARG A 124
GLN A 170
 None
 1.15A 6g1pB-2x40A:
undetectable		 6g1pB-2x40A:
19.45
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.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		4 / 8 GLN A 252
ILE A 300
VAL A 206
MET A 207
 None
None
None
GOL  A1726 ( 4.0A)
 1.06A 6hu9a-2x40A:
undetectable
6hu9e-2x40A:
undetectable		 6hu9a-2x40A:
20.64
6hu9e-2x40A:
10.91
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		5 / 11 ASP A 474
SER A 472
SER A 380
ALA A 378
VAL A 451
 None
 1.43A 6hu9A-2x40A:
undetectable
6hu9E-2x40A:
undetectable
6hu9I-2x40A:
undetectable		 6hu9A-2x40A:
21.49
6hu9E-2x40A:
13.15
6hu9I-2x40A:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 2x40 BETA-GLUCOSIDASE
(Thermotoga
neapolitana) 		3 / 3 THR A 363
GLU A 475
ASN A 498
 None
 0.62A 6nj9K-2x40A:
2.6		 6nj9K-2x40A:
20.76