SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3td9'

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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 LEU A 296
ASP A 299
ASP A 306
VAL A 113
ILE A 323
None
1.15A 1d4sA-3td9A:
undetectable
1d4sA-3td9A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPK_A_ACAA80_1
(PLASMINOGEN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 6 PRO A 366
ASP A 339
ASN A 341
ASP A 343
None
1.45A 1hpkA-3td9A:
undetectable
1hpkA-3td9A:
13.48
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.
1I9G_A_SAMA301_1
(HYPOTHETICAL PROTEIN
RV2118C)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 GLU A  92
HIS A  97
ASP A  65
None
0.88A 1i9gA-3td9A:
2.9
1i9gA-3td9A:
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.
1RV7_B_AB1B1001_1
(PROTEASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 11 ALA A  35
ILE A  44
THR A 114
PRO A 115
ALA A 116
None
None
None
None
PHE  A 400 (-3.6A)
1.13A 1rv7A-3td9A:
undetectable
1rv7B-3td9A:
undetectable
1rv7A-3td9A:
17.54
1rv7B-3td9A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 TYR A 166
THR A 263
CYH A 133
LEU A 296
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
None
1.40A 1uw6A-3td9A:
undetectable
1uw6B-3td9A:
undetectable
1uw6A-3td9A:
19.62
1uw6B-3td9A:
19.62
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 TYR A 166
THR A 263
CYH A 133
LEU A 296
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
None
1.41A 1uw6D-3td9A:
undetectable
1uw6E-3td9A:
undetectable
1uw6D-3td9A:
19.62
1uw6E-3td9A:
19.62
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 TYR A 166
THR A 263
CYH A 133
LEU A 296
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
None
1.41A 1uw6G-3td9A:
undetectable
1uw6H-3td9A:
undetectable
1uw6G-3td9A:
19.62
1uw6H-3td9A:
19.62
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 TYR A 166
THR A 263
CYH A 133
LEU A 296
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
None
1.37A 1uw6P-3td9A:
undetectable
1uw6Q-3td9A:
undetectable
1uw6P-3td9A:
19.62
1uw6Q-3td9A:
19.62
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 LEU A 296
TYR A 166
THR A 263
CYH A 133
None
PHE  A 400 (-3.8A)
EDO  A 403 ( 4.2A)
None
1.42A 1uw6P-3td9A:
undetectable
1uw6T-3td9A:
undetectable
1uw6P-3td9A:
19.62
1uw6T-3td9A:
19.62
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.
2G72_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 7 TYR A 213
GLY A 140
TYR A 166
ASP A 368
None
None
PHE  A 400 (-3.8A)
None
0.97A 2g72B-3td9A:
undetectable
2g72B-3td9A:
21.93
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 6 ASN A 172
GLN A 124
ILE A 135
PHE A 134
None
1.16A 2jn3A-3td9A:
undetectable
2jn3A-3td9A:
15.82
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 ASP A 165
ASN A 119
THR A 114
None
0.75A 2pymB-3td9A:
undetectable
2pymB-3td9A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QO6_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 LEU A 304
ILE A 308
LEU A 305
VAL A  25
PHE A 314
None
1.09A 2qo6A-3td9A:
undetectable
2qo6A-3td9A:
16.39
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.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 PHE A  36
ASP A 299
LEU A 296
GLY A 297
THR A 118
PHE  A 400 (-3.7A)
None
None
None
PHE  A 400 (-2.8A)
1.33A 2tsrD-3td9A:
undetectable
2tsrD-3td9A:
22.36
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.
2VH3_B_DAHB2_1
(RANASMURFIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 ALA A  94
SER A  98
GLY A  91
ALA A 116
PHE  A 400 (-4.3A)
None
None
PHE  A 400 (-3.6A)
0.83A 2vh3B-3td9A:
undetectable
2vh3B-3td9A:
13.74
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 VAL A 348
TYR A 166
PHE A 261
ASN A 351
None
PHE  A 400 (-3.8A)
EDO  A 403 (-4.4A)
EDO  A 403 (-4.0A)
1.27A 2wekA-3td9A:
6.9
2wekA-3td9A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 8 VAL A 348
TYR A 166
PHE A 261
ASN A 351
None
PHE  A 400 (-3.8A)
EDO  A 403 (-4.4A)
EDO  A 403 (-4.0A)
1.22A 2wekB-3td9A:
6.8
2wekB-3td9A:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_E_ACHE1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 7 ILE A 214
SER A 192
TYR A 166
TYR A 217
None
None
PHE  A 400 (-3.8A)
PHE  A 400 (-4.8A)
1.29A 2xz5D-3td9A:
undetectable
2xz5E-3td9A:
undetectable
2xz5D-3td9A:
19.89
2xz5E-3td9A:
19.89
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.
2YGP_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 ILE A 323
ILE A 338
ARG A 310
ILE A  90
VAL A 349
None
1.49A 2ygpA-3td9A:
undetectable
2ygpA-3td9A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 SER A 198
GLN A 227
PHE A 197
None
0.63A 3g4lC-3td9A:
undetectable
3g4lC-3td9A:
18.97
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.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 11 ASP A 306
VAL A 132
ALA A 344
THR A 326
ILE A 338
None
1.34A 3n23A-3td9A:
3.3
3n23A-3td9A:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 11 VAL A 353
PHE A  36
GLY A 240
TYR A 166
ILE A 214
None
PHE  A 400 (-3.7A)
None
PHE  A 400 (-3.8A)
None
1.35A 3owxA-3td9A:
undetectable
3owxB-3td9A:
2.0
3owxA-3td9A:
20.11
3owxB-3td9A:
20.11
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 GLU A 220
PHE A 197
GLN A 195
None
1.01A 3r55A-3td9A:
undetectable
3r55A-3td9A:
20.61
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 ALA A 269
VAL A 349
GLY A 334
ILE A 335
VAL A 363
EDO  A 410 (-3.5A)
None
EDO  A 404 ( 3.6A)
EDO  A 404 (-4.3A)
None
0.90A 3so9B-3td9A:
undetectable
3so9B-3td9A:
17.23
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.
3U9F_E_CLME221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 PHE A 134
CYH A 133
HIS A 264
None
None
PHE  A 400 ( 4.5A)
1.24A 3u9fF-3td9A:
undetectable
3u9fF-3td9A:
22.97
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.
3U9F_I_CLMI221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 PHE A 134
CYH A 133
HIS A 264
None
None
PHE  A 400 ( 4.5A)
1.24A 3u9fG-3td9A:
undetectable
3u9fG-3td9A:
22.97
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.
3U9F_K_CLMK221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 PHE A 134
CYH A 133
HIS A 264
None
None
PHE  A 400 ( 4.5A)
1.22A 3u9fL-3td9A:
undetectable
3u9fL-3td9A:
22.97
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.
3U9F_R_CLMR221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 PHE A 134
CYH A 133
HIS A 264
None
None
PHE  A 400 ( 4.5A)
1.19A 3u9fS-3td9A:
undetectable
3u9fS-3td9A:
22.97
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.
3W1W_A_SALA1505_1
(FERROCHELATASE,
MITOCHONDRIAL)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 VAL A  40
PRO A 115
SER A 117
LEU A 293
SER A  98
None
None
PHE  A 400 (-4.2A)
PHE  A 400 (-4.1A)
None
1.28A 3w1wA-3td9A:
4.3
3w1wB-3td9A:
4.4
3w1wA-3td9A:
21.98
3w1wB-3td9A:
21.98
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.
3WDM_A_ADNA901_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 ALA A  35
ARG A  38
GLY A  37
LEU A 293
LEU A  27
None
None
None
PHE  A 400 (-4.1A)
None
1.47A 3wdmA-3td9A:
3.6
3wdmA-3td9A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 VAL A 168
ASP A 161
THR A 118
ILE A 221
ILE A  33
None
None
PHE  A 400 (-2.8A)
None
None
1.33A 4eb6B-3td9A:
3.7
4eb6C-3td9A:
2.8
4eb6B-3td9A:
21.14
4eb6C-3td9A:
20.74
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 5 GLY A 216
ILE A 224
LEU A 259
LEU A 293
None
None
None
PHE  A 400 (-4.1A)
0.79A 4o8fA-3td9A:
undetectable
4o8fA-3td9A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 11 GLY A 252
GLY A 253
LEU A 259
VAL A 353
ILE A 251
None
SO4  A 401 (-3.5A)
None
None
None
0.98A 4pghA-3td9A:
2.2
4pghA-3td9A:
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 LEU A  27
VAL A  40
PRO A 115
THR A 114
GLY A 342
None
1.33A 4q15A-3td9A:
2.7
4q15A-3td9A:
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 5 TYR A 217
GLN A 164
ASP A 136
ASP A 343
PHE  A 400 (-4.8A)
None
None
None
1.08A 4qtuB-3td9A:
3.1
4qtuB-3td9A:
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 ALA A 292
ASP A 244
GLY A 242
THR A 118
VAL A  93
EDO  A 403 (-3.5A)
EDO  A 403 ( 2.8A)
PHE  A 400 ( 4.2A)
PHE  A 400 (-2.8A)
PHE  A 400 (-4.7A)
1.12A 4r1zA-3td9A:
undetectable
4r1zA-3td9A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 9 ALA A 100
ALA A  96
ALA A  94
SER A 117
ALA A  73
None
None
PHE  A 400 (-4.3A)
PHE  A 400 (-4.2A)
None
1.14A 4twdA-3td9A:
undetectable
4twdB-3td9A:
undetectable
4twdC-3td9A:
undetectable
4twdD-3td9A:
undetectable
4twdE-3td9A:
undetectable
4twdA-3td9A:
20.11
4twdB-3td9A:
20.11
4twdC-3td9A:
20.11
4twdD-3td9A:
20.11
4twdE-3td9A:
20.11
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 PRO A 115
ILE A  90
VAL A  62
ASP A  65
THR A  66
None
1.15A 4xe0A-3td9A:
undetectable
4xe0A-3td9A:
15.96
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 6 SER A  68
GLU A  69
GLY A 242
ASP A 241
GLY A 216
None
None
PHE  A 400 ( 4.2A)
PHE  A 400 (-2.7A)
None
1.35A 5cdnA-3td9A:
undetectable
5cdnB-3td9A:
4.2
5cdnA-3td9A:
20.12
5cdnB-3td9A:
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
4 / 7 ILE A 249
GLY A 356
ASP A 359
PHE A 360
EDO  A 407 (-4.6A)
None
None
None
1.11A 5hieA-3td9A:
undetectable
5hieA-3td9A:
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 TYR A 166
ILE A  26
GLU A  69
ALA A  77
ALA A 100
PHE  A 400 (-3.8A)
None
None
None
None
1.08A 5n5dB-3td9A:
undetectable
5n5dB-3td9A:
22.06
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 VAL A 185
ILE A 224
PHE A 233
VAL A 158
PHE A 159
None
1.24A 6ap6A-3td9A:
3.0
6ap6A-3td9A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 12 VAL A 185
ILE A 224
PHE A 233
VAL A 158
PHE A 159
None
1.23A 6ap6B-3td9A:
3.1
6ap6B-3td9A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
3 / 3 ALA A 116
PHE A 134
GLN A 139
PHE  A 400 (-3.6A)
None
None
0.81A 6eceA-3td9A:
3.1
6eceA-3td9A:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 241
THR A 215
GLY A 216
ASP A 161
GLU A 220
PHE  A 400 (-2.7A)
None
None
None
None
1.36A 6mb7A-3td9A:
2.0
6mb7A-3td9A:
13.93
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 TYR A 213
THR A 215
GLY A 216
ASP A 161
GLU A 220
None
1.15A 6mb7A-3td9A:
2.0
6mb7A-3td9A:
13.93
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 241
THR A 215
GLY A 216
ASP A 161
GLU A 220
PHE  A 400 (-2.7A)
None
None
None
None
1.37A 6mb9A-3td9A:
undetectable
6mb9A-3td9A:
13.93
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 TYR A 213
THR A 215
GLY A 216
ASP A 161
GLU A 220
None
1.17A 6mb9A-3td9A:
undetectable
6mb9A-3td9A:
13.93
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.
6MB9_B_NMYB302_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 241
THR A 215
GLY A 216
ASP A 161
GLU A 220
PHE  A 400 (-2.7A)
None
None
None
None
1.35A 6mb9B-3td9A:
undetectable
6mb9B-3td9A:
13.93
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.
6MB9_C_NMYC302_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 136
ASP A 244
THR A 263
THR A 215
GLY A 216
None
EDO  A 403 ( 2.8A)
EDO  A 403 ( 4.2A)
None
None
1.37A 6mb9C-3td9A:
undetectable
6mb9C-3td9A:
13.93
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.
6MB9_C_NMYC302_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 241
THR A 215
GLY A 216
ASP A 161
GLU A 220
PHE  A 400 (-2.7A)
None
None
None
None
1.33A 6mb9C-3td9A:
undetectable
6mb9C-3td9A:
13.93
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.
6MB9_D_NMYD302_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 ASP A 241
THR A 215
GLY A 216
ASP A 161
GLU A 220
PHE  A 400 (-2.7A)
None
None
None
None
1.32A 6mb9D-3td9A:
undetectable
6mb9D-3td9A:
13.93
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.
6MB9_D_NMYD302_0
(AAC(3)-IIIB PROTEIN)
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima)
5 / 10 TYR A 213
THR A 215
GLY A 216
ASP A 161
GLU A 220
None
1.15A 6mb9D-3td9A:
undetectable
6mb9D-3td9A:
13.93