SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ivf'

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.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 LEU A 606
THR A 857
LEU A 635
THR A 637
 None
MD1  A1987 ( 4.1A)
None
MD1  A1987 (-3.5A)
 0.85A 1ictD-2ivfA:
undetectable		 1ictD-2ivfA:
8.91
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.
1ICV_A_NIOA704_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 SER A 426
PHE B 281
GLU B 286
GLY B 282
 None
None
None
GOL  B1355 ( 4.9A)
 1.45A 1icvA-2ivfA:
undetectable
1icvB-2ivfA:
undetectable		 1icvA-2ivfA:
13.27
1icvB-2ivfA:
13.27
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASN A 470
PHE A 251
VAL A 435
 None
 0.86A 1kijA-2ivfA:
undetectable		 1kijA-2ivfA:
19.91
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.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.94A 1l7fA-2ivfB:
undetectable		 1l7fA-2ivfB:
21.63
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.96A 1l7hA-2ivfB:
undetectable		 1l7hA-2ivfB:
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.
1LIN_A_TFPA155_1
(CALMODULIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 GLU A 785
PHE A 805
MET A 237
ALA A 482
 None
 1.28A 1linA-2ivfA:
undetectable		 1linA-2ivfA:
10.18
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.
1LQT_A_ACTA1871_0
(FPRA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 PRO B  80
ALA C  47
PHE C  45
SER C  43
 None
 1.00A 1lqtA-2ivfB:
undetectable		 1lqtA-2ivfB:
23.66
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.
1LQT_B_ACTB1873_0
(FPRA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASP A 246
ASP A 242
LYS A 274
 None
GOL  A1979 (-2.7A)
None
 1.10A 1lqtB-2ivfA:
undetectable		 1lqtB-2ivfA:
17.66
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.
1LQU_A_ACTA1428_0
(FPRA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 PRO B  80
ALA C  47
PHE C  45
SER C  43
 None
 1.01A 1lquA-2ivfB:
undetectable		 1lquA-2ivfB:
23.66
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.
1LQU_B_ACTB1430_0
(FPRA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASP A 246
ASP A 242
LYS A 274
 None
GOL  A1979 (-2.7A)
None
 1.11A 1lquB-2ivfA:
undetectable		 1lquB-2ivfA:
17.66
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.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLU A 430
ARG B 317
LEU A 294
ASP A 293
 None
PO4  B1354 (-3.9A)
None
None
 1.21A 1n13B-2ivfA:
undetectable
1n13C-2ivfA:
undetectable		 1n13B-2ivfA:
7.55
1n13C-2ivfA:
4.84
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.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 THR B 155
THR B 266
PRO B 157
 None
SF4  B1357 ( 4.6A)
SF4  B1357 ( 4.8A)
 0.86A 1qfiB-2ivfB:
undetectable		 1qfiB-2ivfB:
4.67
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 906
VAL A 918
TRP A 921
 None
 1.19A 1qwcA-2ivfA:
undetectable		 1qwcA-2ivfA:
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ASP A 675
PHE A 673
LEU A 740
THR A 672
 None
 1.09A 1rmtD-2ivfA:
undetectable		 1rmtD-2ivfA:
11.88
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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 PHE A 462
PHE A 814
SER A 468
ALA A 812
 None
 1.19A 1rqpC-2ivfA:
undetectable		 1rqpC-2ivfA:
13.80
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.
1RQP_C_SAMC500_0
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 PHE A 462
PHE A 814
SER A 468
ALA A 812
 None
 1.17A 1rqpA-2ivfA:
undetectable		 1rqpA-2ivfA:
13.80
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 183
ASP A 184
PRO A 215
ASP A 220
ALA A 190
 None
 1.45A 1s14B-2ivfA:
undetectable		 1s14B-2ivfA:
11.78
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.
1TT6_A_DESA129_1
(TRANSTHYRETIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 LYS A 434
LEU A 431
LEU A 310
SER A 311
 None
 1.38A 1tt6A-2ivfA:
undetectable		 1tt6A-2ivfA:
8.91
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.
1VIF_A_FOLA1_0
(DIHYDROFOLATE
REDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 GLN B 181
ILE A  67
TYR A  68
 None
 0.67A 1vifA-2ivfB:
undetectable		 1vifA-2ivfB:
12.97
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.
1XPQ_A_SPMA924_1
(FMS1 PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 TRP A 549
ASP A 220
LEU A 629
PHE A 621
LEU A 625
 None
 1.06A 1xpqA-2ivfA:
1.0		 1xpqA-2ivfA:
18.78
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.
1XPQ_C_SPMC921_1
(FMS1 PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 TRP A 549
ASP A 220
LEU A 629
PHE A 621
LEU A 625
 None
 1.17A 1xpqC-2ivfA:
0.9		 1xpqC-2ivfA:
18.78
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.
1XPQ_C_SPMC921_1
(FMS1 PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 TRP A 549
LEU A 629
LYS A 614
PHE A 621
LEU A 625
 None
 1.30A 1xpqC-2ivfA:
0.9		 1xpqC-2ivfA:
18.78
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.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 ILE A 198
ARG A 676
LEU A 740
ASN A 736
 None
 1.03A 1y0xX-2ivfA:
undetectable		 1y0xX-2ivfA:
14.93
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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TRP A 820
LEU A 822
LYS A 341
 None
 0.87A 1yajK-2ivfA:
undetectable		 1yajK-2ivfA:
20.22
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.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU A 463
ILE A 315
THR A 329
LEU A 382
ARG A 322
 None
 0.96A 2cd2A-2ivfA:
undetectable		 2cd2A-2ivfA:
11.98
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY B 135
LEU B 298
LEU B 301
LEU B 147
THR B  58
 None
 1.01A 2egvB-2ivfB:
undetectable		 2egvB-2ivfB:
20.28
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.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 ARG A 638
PHE B 103
HIS B  99
THR A 860
 MD1  A1987 (-3.7A)
None
None
None
 1.14A 2f78A-2ivfA:
undetectable		 2f78A-2ivfA:
13.52
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 GLU A 532
MET A 534
THR A 775
LEU A 506
TYR A 490
 None
 1.32A 2ha6A-2ivfA:
undetectable		 2ha6A-2ivfA:
19.23
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 GLU A 532
MET A 534
THR A 775
LEU A 506
TYR A 490
 None
 1.34A 2ha6B-2ivfA:
undetectable		 2ha6B-2ivfA:
19.23
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.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR C 203
GLY C  53
PHE C  32
 HEM  C1217 (-3.7A)
None
None
 0.69A 2m2pB-2ivfC:
undetectable		 2m2pB-2ivfC:
8.15
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.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 TYR B 104
GLY A 156
PHE B 103
 None
 0.68A 2m2pB-2ivfB:
undetectable		 2m2pB-2ivfB:
9.68
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.
2NV4_A_SAMA201_0
(UPF0066 PROTEIN
AF_0241)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA A 595
ASP A 712
GLY A 542
LEU A 543
SER A 183
 None
 1.28A 2nv4A-2ivfA:
undetectable		 2nv4A-2ivfA:
10.37
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.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA A 595
ASP A 712
GLY A 542
LEU A 543
SER A 183
 None
 1.23A 2nv4B-2ivfA:
undetectable		 2nv4B-2ivfA:
10.37
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 PHE B 237
ARG B 217
GLN B 229
LEU A 867
 None
 1.08A 2nyrA-2ivfB:
undetectable		 2nyrA-2ivfB:
21.52
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.
2OKC_A_SAMA500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 THR A 207
ASP A 216
ASN A 218
ASP A 223
 None
None
ACT  A1978 ( 4.2A)
MO  A1985 ( 2.5A)
 1.16A 2okcA-2ivfA:
undetectable		 2okcA-2ivfA:
19.47
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.
2RLF_C_RIMC399_1
(MATRIX PROTEIN 2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 695
LEU A 723
ILE A 691
ARG A 205
 None
 0.87A 2rlfC-2ivfA:
undetectable
2rlfD-2ivfA:
undetectable		 2rlfC-2ivfA:
3.83
2rlfD-2ivfA:
3.83
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 PHE A 462
PHE A 814
SER A 468
ALA A 812
 None
 1.17A 2v7uA-2ivfA:
3.0		 2v7uA-2ivfA:
13.80
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 PHE C 187
LEU C 177
ALA C  62
ALA C  95
PHE C  97
 None
 1.12A 2vcvD-2ivfC:
undetectable		 2vcvD-2ivfC:
19.67
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.
2VCV_E_ASDE1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 PHE C 187
LEU C 177
ALA C  62
ALA C  95
PHE C  97
 None
 1.14A 2vcvE-2ivfC:
undetectable		 2vcvE-2ivfC:
19.67
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.
2VCV_H_ASDH1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 PHE C 187
LEU C 177
ALA C  62
ALA C  95
PHE C  97
 None
 1.13A 2vcvH-2ivfC:
undetectable		 2vcvH-2ivfC:
19.67
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.
2VCV_I_ASDI1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 PHE C 187
LEU C 177
ALA C  62
ALA C  95
PHE C  97
 None
 1.11A 2vcvI-2ivfC:
undetectable		 2vcvI-2ivfC:
19.67
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.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 SER A 240
TYR A 122
TYR A 261
ASP A 242
 GOL  A1979 (-3.5A)
GOL  A1979 (-4.5A)
None
GOL  A1979 (-2.7A)
 1.27A 2x45A-2ivfA:
undetectable		 2x45A-2ivfA:
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.
2XFS_A_J01A500_1
(ORF12)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 HIS A 453
LEU A 943
GLY A 825
ALA A 824
 None
 0.95A 2xfsA-2ivfA:
undetectable		 2xfsA-2ivfA:
19.08
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 TRP A 104
GLN B 351
ILE B  41
SER B 352
 None
 1.13A 2xz5A-2ivfA:
undetectable
2xz5B-2ivfA:
undetectable		 2xz5A-2ivfA:
12.53
2xz5B-2ivfA:
12.53
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ILE A 250
SER A 255
TYR A 261
CYH A 441
 None
MGD  A1986 (-4.6A)
None
None
 1.39A 2xz5D-2ivfA:
undetectable
2xz5E-2ivfA:
undetectable		 2xz5D-2ivfA:
12.53
2xz5E-2ivfA:
12.53
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.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 7 GLN B 351
ILE B  41
SER B 352
TRP A 104
 None
 1.13A 2xz5D-2ivfB:
undetectable
2xz5E-2ivfB:
undetectable		 2xz5D-2ivfB:
21.02
2xz5E-2ivfB:
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.
3BU1_A_HSMA301_1
(LIPOCALIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 SER A 240
TYR A 122
TYR A 261
ASP A 242
 GOL  A1979 (-3.5A)
GOL  A1979 (-4.5A)
None
GOL  A1979 (-2.7A)
 1.22A 3bu1A-2ivfA:
undetectable		 3bu1A-2ivfA:
10.09
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.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 LEU A 543
TRP A 200
SER A 214
THR A 207
 None
 1.32A 3dzgB-2ivfA:
2.7		 3dzgB-2ivfA:
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.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 ILE B 199
THR B 266
PHE B  75
PHE C  45
 SF4  B1357 (-4.4A)
SF4  B1357 ( 4.6A)
None
None
 1.01A 3elzB-2ivfB:
undetectable		 3elzB-2ivfB:
17.28
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 MET A 644
ALA A 646
ALA A 166
VAL A 143
TRP A 158
 None
 1.38A 3f8fA-2ivfA:
0.0
3f8fB-2ivfA:
0.0		 3f8fA-2ivfA:
8.93
3f8fB-2ivfA:
8.93
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 LEU B  19
LEU B 213
ARG B 217
 None
SF4  B1359 (-4.5A)
None
 0.75A 3hcnB-2ivfB:
undetectable		 3hcnB-2ivfB:
22.68
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.
3K39_A_BCZA1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39A-2ivfA:
undetectable		 3k39A-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39C-2ivfA:
undetectable		 3k39C-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_D_BCZD1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.94A 3k39D-2ivfA:
undetectable		 3k39D-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_E_BCZE1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39E-2ivfA:
undetectable		 3k39E-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_F_BCZF1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39F-2ivfA:
undetectable		 3k39F-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_G_BCZG1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39G-2ivfA:
undetectable		 3k39G-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_H_BCZH1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39H-2ivfA:
undetectable		 3k39H-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_I_BCZI1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39I-2ivfA:
undetectable		 3k39I-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_J_BCZJ1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39J-2ivfA:
undetectable		 3k39J-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_K_BCZK1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.93A 3k39K-2ivfA:
undetectable		 3k39K-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_L_BCZL1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39L-2ivfA:
undetectable		 3k39L-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_M_BCZM1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.94A 3k39M-2ivfA:
undetectable		 3k39M-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_N_BCZN1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.97A 3k39N-2ivfA:
undetectable		 3k39N-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_O_BCZO1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.95A 3k39O-2ivfA:
undetectable		 3k39O-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_P_BCZP1001_0
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLU A 657
LEU A 137
ARG A 142
ALA A 199
GLU A 660
 None
 0.96A 3k39P-2ivfA:
undetectable		 3k39P-2ivfA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_O_TFPO201_1
(PROTEIN S100-A4)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLY A 130
PHE A 671
PHE A 762
GLY A  80
 SF4  A1984 (-3.6A)
None
None
None
 0.99A 3ko0O-2ivfA:
undetectable
3ko0Q-2ivfA:
undetectable		 3ko0O-2ivfA:
8.10
3ko0Q-2ivfA:
8.10
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.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 HIS A 194
HIS A 855
HIS A 849
ASP A 223
ILE A 217
 MD1  A1987 (-3.9A)
MGD  A1986 ( 3.6A)
MGD  A1986 (-3.6A)
MO  A1985 ( 2.5A)
None
 1.31A 3njzA-2ivfA:
0.0		 3njzA-2ivfA:
16.62
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 LEU A 625
ALA A 646
GLY A 185
PRO A 600
 None
 0.87A 3ny4A-2ivfA:
undetectable		 3ny4A-2ivfA:
14.91
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 GLY A 233
LYS A 234
GLU A 527
PRO A 806
 None
 0.98A 3onnA-2ivfA:
undetectable		 3onnA-2ivfA:
15.15
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 GLU A 106
PHE A  94
GLN B 229
 None
SF4  A1984 (-4.6A)
None
 1.03A 3r55A-2ivfA:
undetectable		 3r55A-2ivfA:
20.97
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.
3R94_A_FLRA332_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 666
TYR A 122
PHE A 267
PRO A  88
TYR A 261
 None
GOL  A1979 (-4.5A)
None
None
None
 1.39A 3r94A-2ivfA:
undetectable		 3r94A-2ivfA:
18.74
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.
3ROP_A_NCAA302_0
(ADP-RIBOSYL CYCLASE
1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 LEU A 543
TRP A 200
SER A 214
THR A 207
 None
 1.31A 3ropA-2ivfA:
2.5		 3ropA-2ivfA:
12.68
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.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 PHE B 113
SER A 865
SER A 862
 None
 1.02A 3ufgB-2ivfB:
undetectable		 3ufgB-2ivfB:
20.10
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 PHE B  97
HIS B 112
PRO B 124
PHE B  95
GLY B 121
 None
 1.21A 3v3nA-2ivfB:
undetectable		 3v3nA-2ivfB:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 GLY A 847
THR A 846
ILE A 917
THR A 288
 None
MGD  A1986 ( 4.1A)
None
None
 0.91A 4acaC-2ivfA:
undetectable		 4acaC-2ivfA:
19.61
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 4 ASN A 958
SER A 214
LEU A 543
THR A 224
 None
None
None
GOL  A1980 ( 4.9A)
 1.37A 4an2A-2ivfA:
undetectable		 4an2A-2ivfA:
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ASN B 224
TRP B  42
GLN B 229
ASN B  40
 SF4  B1359 (-4.1A)
SF4  B1359 (-4.5A)
None
None
 1.31A 4d1yA-2ivfB:
undetectable
4d1yB-2ivfB:
undetectable		 4d1yA-2ivfB:
21.15
4d1yB-2ivfB:
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.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.20A 4d7hA-2ivfA:
undetectable		 4d7hA-2ivfA:
17.92
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.
4KF9_A_ACTA408_0
(GLUTATHIONE
S-TRANSFERASE
PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 TYR A 265
THR A 288
PRO A 290
PHE B 144
 None
 1.43A 4kf9A-2ivfA:
undetectable		 4kf9A-2ivfA:
16.44
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 LEU B 298
LEU B 301
LEU B 260
ILE B 293
 None
 0.84A 4klaA-2ivfB:
undetectable		 4klaA-2ivfB:
22.93
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 MET A 337
GLU A 403
GLU A 407
ARG A 406
 None
 1.07A 4mj8B-2ivfA:
undetectable
4mj8C-2ivfA:
undetectable		 4mj8B-2ivfA:
10.92
4mj8C-2ivfA:
10.92
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.
4PCU_B_SAMB603_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 ASP A 284
GLN A 915
VAL A 300
ILE A 281
ASP A 303
 MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-4.1A)
MGD  A1986 (-2.9A)
 1.00A 4pcuA-2ivfA:
0.0
4pcuB-2ivfA:
1.4		 4pcuA-2ivfA:
19.32
4pcuB-2ivfA:
19.32
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.
4RZV_B_032B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 ILE B 333
SER A 269
HIS A 266
ASP A 246
 None
 1.20A 4rzvB-2ivfB:
undetectable		 4rzvB-2ivfB:
21.25
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.
4U15_A_0HKA2001_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ASP B  24
THR A 288
THR A 289
ALA A 292
ALA B 278
 None
 1.49A 4u15A-2ivfB:
undetectable		 4u15A-2ivfB:
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ASP B  24
THR A 288
THR A 289
ALA A 292
ALA B 278
 None
 1.48A 4u15B-2ivfB:
undetectable		 4u15B-2ivfB:
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 PRO A 414
SER A 311
ASP A 330
THR A 231
 None
 1.10A 4uacA-2ivfA:
undetectable		 4uacA-2ivfA:
17.74
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 774
GLY A 776
SER A 772
LEU A 771
THR A 768
 None
None
ACT  A1983 (-4.7A)
None
MES  A1977 (-4.9A)
 1.04A 4uckB-2ivfA:
undetectable		 4uckB-2ivfA:
16.68
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.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.15A 4uglA-2ivfA:
undetectable		 4uglA-2ivfA:
17.92
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 ASP A 284
GLN A 915
VAL A 300
ILE A 281
ASP A 303
 MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-4.1A)
MGD  A1986 (-2.9A)
 1.29A 4uuuA-2ivfA:
undetectable
4uuuB-2ivfA:
undetectable		 4uuuA-2ivfA:
9.52
4uuuB-2ivfA:
9.52
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 ASP A 284
GLN A 915
VAL A 300
ILE A 281
ASP A 303
 MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-4.1A)
MGD  A1986 (-2.9A)
 1.28A 4uuuB-2ivfA:
undetectable		 4uuuB-2ivfA:
9.52
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 SER A 451
ASP A 284
GLN A 915
VAL A 300
ASP A 303
 MGD  A1986 (-4.5A)
MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-2.9A)
 1.25A 4uuuB-2ivfA:
undetectable		 4uuuB-2ivfA:
9.52
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 ASP A 330
ALA A 812
THR A 809
THR A 807
 None
 1.16A 4w5rA-2ivfA:
undetectable		 4w5rA-2ivfA:
21.63
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.
4WAN_C_ACTC303_0
(BRANCHPOINT-BRIDGING
PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASP A 800
ARG A 439
PRO A 474
 None
 0.89A 4wanC-2ivfA:
undetectable		 4wanC-2ivfA:
8.68
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.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 CYH B  28
ASN B 129
LEU A 867
TYR B 146
 SF4  B1358 (-2.2A)
None
None
None
 1.16A 4wcxC-2ivfB:
undetectable		 4wcxC-2ivfB:
20.89
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 8 ALA C 103
VAL C  99
GLY C 109
ALA C 110
GLY C 112
 None
 1.15A 4zjzB-2ivfC:
undetectable		 4zjzB-2ivfC:
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 PHE A 633
ILE A 694
ASP A 164
 None
 0.67A 5cswA-2ivfA:
undetectable		 5cswA-2ivfA:
14.92
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.
5CSW_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 PHE A 633
ILE A 694
ASP A 164
 None
 0.73A 5cswB-2ivfA:
undetectable		 5cswB-2ivfA:
14.92
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.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ASN C 194
ALA C 195
ARG C 200
 None
None
GOL  C1216 (-4.1A)
 0.78A 5cvtB-2ivfC:
undetectable		 5cvtB-2ivfC:
25.11
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 HIS A 849
ARG A 613
ARG A 615
HIS A 192
 MGD  A1986 (-3.6A)
MD1  A1987 (-3.9A)
MD1  A1987 (-3.1A)
ACT  A1978 ( 3.9A)
 1.15A 5db5A-2ivfA:
undetectable
5db5B-2ivfA:
undetectable		 5db5A-2ivfA:
16.93
5db5B-2ivfA:
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.
5DLW_A_5D5A905_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 LEU A 606
SER A 607
PHE A 956
ARG A 613
VAL A 193
 None
MD1  A1987 (-4.5A)
None
MD1  A1987 (-3.9A)
None
 1.46A 5dlwA-2ivfA:
0.0		 5dlwA-2ivfA:
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 MET A 503
LEU A 506
ALA A 510
MET A 534
GLY A 776
 None
 1.19A 5dxbA-2ivfA:
undetectable		 5dxbA-2ivfA:
14.77
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 906
VAL A 918
TRP A 921
 None
 1.20A 5fvoA-2ivfA:
undetectable		 5fvoA-2ivfA:
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.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.21A 5g6cA-2ivfA:
undetectable		 5g6cA-2ivfA:
17.92
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ASN A 256
PHE B 144
HIS A 868
THR A 846
 MGD  A1986 (-4.1A)
None
None
MGD  A1986 ( 4.1A)
 1.37A 5hqaA-2ivfA:
undetectable		 5hqaA-2ivfA:
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.
5IEP_A_VDYA201_2
(CDL2.3B)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 9 PRO A 794
MET A 795
LEU A 461
TYR A 443
LEU A 244
 None
 1.44A 5iepA-2ivfA:
undetectable		 5iepA-2ivfA:
9.15
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		 2ivf ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 PHE C 210
MET C   1
ILE C  69
LEU C  73
VAL C  60
 None
 1.27A 5im2A-2ivfC:
undetectable		 5im2A-2ivfC:
22.95
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.
5JWA_A_ACTA609_0
(NADH DEHYDROGENASE,
PUTATIVE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 VAL A 193
SER A 197
TRP A 200
 None
 0.99A 5jwaA-2ivfA:
undetectable		 5jwaA-2ivfA:
18.78
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.
5KKZ_A_ASCA1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 6 HIS A 808
ARG A 459
GLN A 813
HIS A 230
 None
None
None
GOL  A1981 (-3.9A)
 1.30A 5kkzA-2ivfA:
undetectable
5kkzG-2ivfA:
undetectable		 5kkzA-2ivfA:
17.82
5kkzG-2ivfA:
10.66
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 HIS A 230
HIS A 808
ARG A 459
GLN A 813
 GOL  A1981 (-3.9A)
None
None
None
 1.32A 5kkzM-2ivfA:
undetectable
5kkzO-2ivfA:
undetectable		 5kkzM-2ivfA:
10.66
5kkzO-2ivfA:
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 SER A 263
TYR A 443
PHE A 267
ASN A 668
 SF4  A1984 ( 4.4A)
None
None
None
 1.18A 5l1fC-2ivfA:
undetectable		 5l1fC-2ivfA:
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR A 780
SER A 778
TRP A 797
 None
 0.98A 5n8jB-2ivfA:
undetectable		 5n8jB-2ivfA:
11.25
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR A 780
SER A 778
TRP A 797
 None
 0.97A 5n8jA-2ivfA:
undetectable		 5n8jA-2ivfA:
11.25
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.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 TYR A 780
SER A 778
TRP A 797
 None
 0.96A 5n8jD-2ivfA:
undetectable		 5n8jD-2ivfA:
11.25
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 VAL A 435
ASP A 303
ALA A 464
SER A 468
GLY A 477
 None
MGD  A1986 (-2.9A)
None
None
None
 1.30A 5syeB-2ivfA:
undetectable		 5syeB-2ivfA:
18.16
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 MET B 276
GLU B 318
ARG B 317
 PO4  B1354 ( 4.8A)
None
PO4  B1354 (-3.9A)
 1.12A 5tjzA-2ivfB:
undetectable		 5tjzA-2ivfB:
21.67
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 TRP A 471
THR A 231
THR A 807
ARG A 811
 None
 1.32A 5tzoA-2ivfA:
undetectable		 5tzoA-2ivfA:
12.21
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.
5TZO_B_7V7B201_2
(ENDO-1,4-BETA-XYLANA
SE A)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 142
PRO A 680
TYR A 655
 None
None
MD1  A1987 (-4.5A)
 0.97A 5tzoB-2ivfA:
undetectable		 5tzoB-2ivfA:
12.21
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 TRP A 471
THR A 231
THR A 807
ARG A 811
 None
 1.42A 5tzoB-2ivfA:
undetectable		 5tzoB-2ivfA:
12.21
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 TRP A 471
THR A 231
THR A 807
ARG A 811
 None
 1.39A 5tzoC-2ivfA:
undetectable		 5tzoC-2ivfA:
12.21
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.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.34A 5v9jA-2ivfA:
undetectable		 5v9jA-2ivfA:
13.22
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.
5VSD_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.25A 5vsdB-2ivfA:
undetectable		 5vsdB-2ivfA:
12.64
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.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.23A 5vsfB-2ivfA:
undetectable		 5vsfB-2ivfA:
12.64
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 ALA A 595
PRO A 596
ASP A 184
ASP A 712
GLY A 715
 None
 1.15A 5wwsB-2ivfA:
undetectable		 5wwsB-2ivfA:
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 10 LEU A 605
TYR A 603
ASN A 609
LEU A 625
GLU A 636
 None
None
MD1  A1987 (-3.7A)
None
MD1  A1987 (-2.9A)
 1.17A 5y7pG-2ivfA:
undetectable		 5y7pG-2ivfA:
16.19
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.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 5 PHE A  94
ASP B 347
GLU A 107
ASN B 224
 SF4  A1984 (-4.6A)
GOL  B1353 (-4.2A)
None
SF4  B1359 (-4.1A)
 1.44A 5ybbA-2ivfA:
1.3		 5ybbA-2ivfA:
19.02
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.
5YCP_A_BRLA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 GLY A 168
VAL A 602
MET A 631
 None
 0.61A 5ycpA-2ivfA:
undetectable		 5ycpA-2ivfA:
6.12
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.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 ARG A 149
ARG A 153
PRO A 622
PRO A 610
 None
 1.36A 6a4iB-2ivfA:
undetectable		 6a4iB-2ivfA:
16.75
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 HIS A 192
HIS A 855
ARG A 612
 ACT  A1978 ( 3.9A)
MGD  A1986 ( 3.6A)
MD1  A1987 (-2.8A)
 1.03A 6b58A-2ivfA:
undetectable		 6b58A-2ivfA:
21.37
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.
6CE2_B_SVRB202_1
()		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 LEU A 506
LEU A 491
GLY A 201
TYR A 208
 None
 0.94A 6ce2A-2ivfA:
undetectable		 6ce2A-2ivfA:
8.78
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.
6D8P_A_ACTA814_0
(UNCHARACTERIZED
PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 5 TYR B  68
ASN B  55
THR B  57
LEU B 147
 None
 1.32A 6d8pA-2ivfB:
undetectable		 6d8pA-2ivfB:
18.48
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.
6DLZ_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 LEU B 331
SER B 334
ASP A 121
SER B 338
GLY B 342
 None
 0.86A 6dlzA-2ivfB:
undetectable
6dlzD-2ivfB:
undetectable		 6dlzA-2ivfB:
12.46
6dlzD-2ivfB:
12.46
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.
6DLZ_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 SER B 338
GLY B 342
LEU B 331
SER B 334
ASP A 121
 None
 0.87A 6dlzB-2ivfB:
undetectable
6dlzC-2ivfB:
undetectable		 6dlzB-2ivfB:
12.46
6dlzC-2ivfB:
12.46
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.
6DM1_A_CYZA1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 LEU B 331
SER B 334
ASP A 121
SER B 338
GLY B 342
 None
 0.87A 6dm1A-2ivfB:
undetectable
6dm1D-2ivfB:
undetectable		 6dm1A-2ivfB:
12.46
6dm1D-2ivfB:
12.46
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.
6DM1_C_CYZC1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		5 / 10 SER B 338
GLY B 342
LEU B 331
SER B 334
ASP A 121
 None
 0.88A 6dm1B-2ivfB:
undetectable
6dm1C-2ivfB:
undetectable		 6dm1B-2ivfB:
12.46
6dm1C-2ivfB:
12.46
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.
6F7L_B_ACTB505_0
(AMINE OXIDASE LKCE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 HIS A 841
ASN A 896
LEU A 935
 None
 0.89A 6f7lB-2ivfA:
undetectable		 6f7lB-2ivfA:
18.37
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.
6GNE_B_ACRB602_2
(-)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 VAL A 918
ASN A 256
TYR A 259
CYH A 254
 None
MGD  A1986 (-4.1A)
None
MGD  A1986 (-3.4A)
 1.17A 6gneB-2ivfA:
2.3		 6gneB-2ivfA:
19.36
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 HIS A 553
ARG A 593
HIS A 591
ASP A 184
 None
 1.28A 6mn4B-2ivfA:
undetectable		 6mn4B-2ivfA:
14.99
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.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY A  90
SER A 264
ALA A 480
SER A 666
ALA A 241
 SF4  A1984 ( 3.9A)
None
None
None
None
 1.42A 6qgbE-2ivfA:
undetectable		 6qgbE-2ivfA:
20.82