SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ip1'

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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  67
GLU A  96
PHE A 153
HIS A  95
 None
CD  A 501 (-3.5A)
None
CD  A 501 (-3.4A)
 0.96A 1ax9A-3ip1A:
undetectable		 1ax9A-3ip1A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1c9sI-3ip1A:
undetectable
1c9sJ-3ip1A:
undetectable		 1c9sI-3ip1A:
11.50
1c9sJ-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.81A 1c9sU-3ip1A:
undetectable
1c9sV-3ip1A:
undetectable		 1c9sU-3ip1A:
11.50
1c9sV-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 VAL A 155
LEU A 129
GLY A 157
HIS A 342
PHE A  97
 None
 1.24A 1fdsA-3ip1A:
8.6		 1fdsA-3ip1A:
23.23
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.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 1gtfJ-3ip1A:
undetectable
1gtfK-3ip1A:
undetectable		 1gtfJ-3ip1A:
11.50
1gtfK-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_A_TRPA81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1gtnA-3ip1A:
undetectable
1gtnK-3ip1A:
undetectable		 1gtnA-3ip1A:
11.50
1gtnK-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_B_TRPB81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1gtnA-3ip1A:
undetectable
1gtnB-3ip1A:
undetectable		 1gtnA-3ip1A:
11.50
1gtnB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1gtnE-3ip1A:
undetectable
1gtnF-3ip1A:
undetectable		 1gtnE-3ip1A:
11.50
1gtnF-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1gtnP-3ip1A:
undetectable
1gtnQ-3ip1A:
undetectable		 1gtnP-3ip1A:
11.50
1gtnQ-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 235
ALA A 236
GLY A 208
ILE A 203
ILE A 217
 None
 0.93A 1hshC-3ip1A:
undetectable		 1hshC-3ip1A:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.83A 1k6cB-3ip1A:
undetectable		 1k6cB-3ip1A:
12.83
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 6 ARG A  13
GLY A  79
ASP A  76
TYR A  37
 None
 1.42A 1kf6M-3ip1A:
3.6
1kf6N-3ip1A:
undetectable		 1kf6M-3ip1A:
20.48
1kf6N-3ip1A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 LEU A 241
VAL A 239
VAL A 202
ILE A 230
 None
 0.93A 1t87B-3ip1A:
undetectable		 1t87B-3ip1A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_B_TRPB81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1utdB-3ip1A:
undetectable
1utdC-3ip1A:
undetectable		 1utdB-3ip1A:
11.50
1utdC-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_F_TRPF81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.82A 1utdF-3ip1A:
undetectable
1utdG-3ip1A:
undetectable		 1utdF-3ip1A:
11.50
1utdG-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_H_TRPH81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 HIS A 345
HIS A 342
ILE A 203
GLY A 341
SER A 339
 CL  A 502 (-4.6A)
None
None
None
None
 1.16A 1utdH-3ip1A:
undetectable
1utdI-3ip1A:
undetectable		 1utdH-3ip1A:
11.50
1utdI-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_I_TRPI81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1utdI-3ip1A:
undetectable
1utdJ-3ip1A:
undetectable		 1utdI-3ip1A:
11.50
1utdJ-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_J_TRPJ81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 GLY A  31
ALA A   8
THR A  87
ILE A  81
 None
 0.80A 1utdJ-3ip1A:
undetectable
1utdK-3ip1A:
undetectable		 1utdJ-3ip1A:
11.50
1utdK-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 LEU A 285
GLY A 220
GLY A 219
ILE A 230
ALA A 226
 None
 1.03A 1v2xA-3ip1A:
3.1		 1v2xA-3ip1A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 220
ALA A 287
ILE A 223
VAL A 247
ALA A 252
 None
 1.14A 1vq1A-3ip1A:
6.1		 1vq1A-3ip1A:
24.04
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.
1YAJ_B_BEZB12_0
(CES1 PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 4 GLY A 220
SER A 245
VAL A 260
LEU A 225
 None
 1.10A 1yajB-3ip1A:
undetectable		 1yajB-3ip1A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 VAL A 202
GLY A 206
THR A 311
ASP A 213
 None
 0.92A 2a1mA-3ip1A:
undetectable		 2a1mA-3ip1A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 GLY A  67
GLU A  96
PHE A 153
HIS A  95
 None
CD  A 501 (-3.5A)
None
CD  A 501 (-3.4A)
 0.98A 2ackA-3ip1A:
undetectable		 2ackA-3ip1A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.97A 2b7zA-3ip1A:
undetectable		 2b7zA-3ip1A:
14.66
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLU A 127
GLU A 126
MET A 128
LEU A  86
TYR A  83
 None
 1.37A 2ha6B-3ip1A:
2.1		 2ha6B-3ip1A:
21.61
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.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 LEU A 185
ARG A 112
VAL A 101
GLY A 120
 None
 1.10A 2qd5B-3ip1A:
2.7		 2qd5B-3ip1A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 5 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.28A 2zj0A-3ip1A:
10.2		 2zj0A-3ip1A:
24.09
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 5 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.31A 3ce6A-3ip1A:
5.8		 3ce6A-3ip1A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 5 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.28A 3ce6C-3ip1A:
10.3		 3ce6C-3ip1A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A  99
SER A  98
ILE A  57
ASN A 394
LEU A   1
 None
 1.09A 3cjtG-3ip1A:
9.1		 3cjtG-3ip1A:
23.04
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.
3EL4_A_ROCA100_1
(PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.91A 3el4A-3ip1A:
undetectable		 3el4A-3ip1A:
13.35
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		3 / 3 MET A 355
CYH A 124
PRO A 194
 None
 0.91A 3h52C-3ip1A:
undetectable		 3h52C-3ip1A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HGX_B_SALB104_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 9 VAL A 390
VAL A   4
ILE A 374
TYR A 377
ILE A 378
 None
 1.38A 3hgxB-3ip1A:
undetectable		 3hgxB-3ip1A:
15.92
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 LEU A 231
LEU A 285
SER A 242
THR A 288
 None
 0.96A 3lm8A-3ip1A:
4.3
3lm8C-3ip1A:
3.8		 3lm8A-3ip1A:
20.82
3lm8C-3ip1A:
20.82
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.
3OGP_B_017B200_2
(FIV PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 9 GLY A 256
ALA A 257
ASP A 258
ILE A 230
LEU A 241
 None
 0.98A 3ogpB-3ip1A:
undetectable		 3ogpB-3ip1A:
15.19
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 ILE A  58
ALA A 158
HIS A 342
ILE A 374
GLY A  64
 None
 0.90A 3ozwB-3ip1A:
6.3		 3ozwB-3ip1A:
21.41
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.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 VAL A 390
VAL A   4
TYR A 377
ILE A 378
 None
 0.79A 3remA-3ip1A:
undetectable		 3remA-3ip1A:
15.92
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 8 VAL A 390
VAL A   4
TYR A 377
ILE A 378
 None
 0.78A 3remB-3ip1A:
undetectable		 3remB-3ip1A:
15.92
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 PHE A 284
ILE A 209
ALA A 236
ASP A 213
LEU A 273
 None
 1.19A 3s79A-3ip1A:
undetectable		 3s79A-3ip1A:
22.01
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 HIS A  95
GLY A  94
VAL A 155
ILE A 223
SER A  68
 CD  A 501 (-3.4A)
None
None
None
CD  A 501 ( 3.7A)
 0.98A 3sufD-3ip1A:
undetectable		 3sufD-3ip1A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 GLY A 256
ALA A 257
ASP A 258
ILE A 230
 None
 0.64A 3t3cA-3ip1A:
undetectable		 3t3cA-3ip1A:
13.09
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 9 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.97A 3u7sB-3ip1A:
undetectable		 3u7sB-3ip1A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCB_A_017A201_2
(PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.95A 3ucbB-3ip1A:
undetectable		 3ucbB-3ip1A:
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.
3V3O_D_T1CD401_1
(TETX2 PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 HIS A 144
PHE A 153
ASN A 149
GLY A 152
GLY A 341
 CL  A 502 (-4.6A)
None
None
None
None
 1.13A 3v3oD-3ip1A:
3.1		 3v3oD-3ip1A:
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.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 ASN A 394
ILE A 378
ASP A  69
GLY A  64
SER A 190
 None
 1.16A 4djfA-3ip1A:
undetectable		 4djfA-3ip1A:
21.27
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 ILE A  65
LEU A  93
GLY A  94
VAL A   4
ALA A   3
 None
 1.19A 4fqsA-3ip1A:
undetectable		 4fqsA-3ip1A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 ILE A  65
LEU A  93
GLY A  94
VAL A   4
ALA A   3
 None
 1.19A 4fqsB-3ip1A:
undetectable		 4fqsB-3ip1A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 ALA A 201
ILE A 203
ALA A 226
ALA A 227
ILE A 230
 None
 1.05A 4lbgA-3ip1A:
4.4		 4lbgA-3ip1A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5eevA-3ip1A:
undetectable
5eevB-3ip1A:
undetectable		 5eevA-3ip1A:
11.50
5eevB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5eewA-3ip1A:
undetectable
5eewB-3ip1A:
undetectable		 5eewA-3ip1A:
11.50
5eewB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5eexA-3ip1A:
undetectable
5eexB-3ip1A:
undetectable		 5eexA-3ip1A:
11.50
5eexB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5eeyA-3ip1A:
undetectable
5eeyB-3ip1A:
undetectable		 5eeyA-3ip1A:
11.50
5eeyB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5eezA-3ip1A:
undetectable
5eezB-3ip1A:
undetectable		 5eezA-3ip1A:
11.50
5eezB-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5ef0A-3ip1A:
undetectable
5ef0B-3ip1A:
undetectable		 5ef0A-3ip1A:
11.50
5ef0B-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5ef1A-3ip1A:
undetectable
5ef1B-3ip1A:
undetectable		 5ef1A-3ip1A:
11.50
5ef1B-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5ef2A-3ip1A:
undetectable
5ef2B-3ip1A:
undetectable		 5ef2A-3ip1A:
11.50
5ef2B-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5ef3A-3ip1A:
undetectable
5ef3B-3ip1A:
undetectable		 5ef3A-3ip1A:
11.50
5ef3B-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5INZ_D_DVAD15_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		3 / 3 GLY A 132
CYH A 137
CYH A 134
 CD  A 500 ( 4.7A)
CD  A 500 (-2.4A)
CD  A 500 (-2.4A)
 0.97A 5inzB-3ip1A:
undetectable		 5inzB-3ip1A:
5.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JKV_A_ASDA602_1
(AROMATASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 PHE A 284
ILE A 209
ALA A 236
ASP A 213
LEU A 273
 None
 1.17A 5jkvA-3ip1A:
undetectable		 5jkvA-3ip1A:
22.01
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.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 SER A 172
LEU A 173
VAL A 101
PHE A 186
LEU A 185
 None
 1.16A 5jo9A-3ip1A:
9.4		 5jo9A-3ip1A:
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		3 / 3 VAL A 315
GLU A 127
GLU A 193
 None
None
CD  A 501 (-2.9A)
 0.73A 5jsdB-3ip1A:
undetectable
5jsdC-3ip1A:
undetectable		 5jsdB-3ip1A:
21.70
5jsdC-3ip1A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 7 GLY A 256
ALA A 257
ASP A 258
ILE A 230
 None
 0.63A 5kqyB-3ip1A:
undetectable		 5kqyB-3ip1A:
15.18
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 LEU A 285
GLY A 220
GLY A 219
ILE A 230
ALA A 226
 None
 0.98A 5l0zA-3ip1A:
2.2		 5l0zA-3ip1A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 4 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.43A 5m5kA-3ip1A:
6.7		 5m5kA-3ip1A:
24.60
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.
5M5K_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 4 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.41A 5m5kC-3ip1A:
7.0		 5m5kC-3ip1A:
24.60
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.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 4 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.43A 5m66B-3ip1A:
6.5		 5m66B-3ip1A:
24.60
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 6 PHE A  89
ASN A 154
LEU A  27
GLY A  25
 None
 1.08A 5o4yA-3ip1A:
undetectable		 5o4yA-3ip1A:
5.33
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 HIS A  95
GLY A  94
VAL A 155
ILE A 223
SER A  68
 CD  A 501 (-3.4A)
None
None
None
CD  A 501 ( 3.7A)
 1.11A 6c2mA-3ip1A:
undetectable		 6c2mA-3ip1A:
13.35
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 HIS A  95
GLY A  94
VAL A 155
ILE A 223
SER A  68
 CD  A 501 (-3.4A)
None
None
None
CD  A 501 ( 3.7A)
 1.16A 6c2mB-3ip1A:
undetectable		 6c2mB-3ip1A:
13.35
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.
6EXI_A_ADNA503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.67A 6exiA-3ip1A:
10.3		 6exiA-3ip1A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 10 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.65A 6exiB-3ip1A:
10.2		 6exiB-3ip1A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_C_ADNC503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.69A 6exiC-3ip1A:
10.4
6exiD-3ip1A:
10.5		 6exiC-3ip1A:
11.06
6exiD-3ip1A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		5 / 12 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.65A 6exiC-3ip1A:
10.4
6exiD-3ip1A:
10.5		 6exiC-3ip1A:
11.06
6exiD-3ip1A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_B_ADNB502_2
(-)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 4 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.38A 6f3mB-3ip1A:
4.9		 6f3mB-3ip1A:
23.78
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.
6GBN_D_ADND501_2
(-)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 5 GLN A  74
THR A  75
THR A  87
LEU A  93
 None
 1.40A 6gbnD-3ip1A:
8.1		 6gbnD-3ip1A:
22.91
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		4 / 5 GLY A 152
LEU A  93
SER A  68
TYR A  83
 None
None
CD  A 501 ( 3.7A)
None
 1.25A 6ji6A-3ip1A:
undetectable		 6ji6A-3ip1A:
21.45
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING
(Thermotoga
maritima) 		3 / 3 ASP A 183
SER A 190
SER A  98
 None
 0.76A 6mxtA-3ip1A:
undetectable		 6mxtA-3ip1A:
21.50