SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5x7u'

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.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 TYR A 162
TRP A 130
PHE A 113
ARG A 117
None
1.47A 1b2iA-5x7uA:
undetectable
1b2iA-5x7uA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
6 / 12 TYR A  65
ASP A 202
ALA A 203
HIS A 309
ASP A 310
ARG A 393
TRS  A 600 (-3.5A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
None
TRS  A 600 ( 4.7A)
None
0.67A 1dedA-5x7uA:
28.7
1dedA-5x7uA:
8.95
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 TYR A  65
ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ARG A 393
TRS  A 600 (-3.5A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
None
0.82A 1dedB-5x7uA:
29.1
1dedB-5x7uA:
8.95
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 TYR A  65
ARG A 200
ASP A 202
ALA A 203
HIS A 309
ASP A 310
ARG A 393
TRS  A 600 (-3.5A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
None
TRS  A 600 ( 4.7A)
None
0.65A 1dedB-5x7uA:
29.1
1dedB-5x7uA:
8.95
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 VAL A 232
LEU A 241
TYR A  56
ILE A 184
LEU A 192
None
1.12A 1eqgB-5x7uA:
undetectable
1eqgB-5x7uA:
8.46
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.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 202
GLN A 182
ILE A 187
TYR A  70
ILE A  67
TRS  A 600 (-2.8A)
None
None
None
None
1.06A 1fapA-5x7uA:
undetectable
1fapA-5x7uA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 LEU A 241
LEU A 242
ALA A 243
ILE A 184
LEU A 225
None
1.29A 1g50A-5x7uA:
undetectable
1g50A-5x7uA:
16.95
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 TYR A  65
HIS A 105
ARG A 200
ASP A 202
GLU A 244
HIS A 309
ASP A 310
TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
0.39A 1mxdA-5x7uA:
24.0
1mxdA-5x7uA:
12.73
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 TYR A  65
HIS A 105
PHE A 166
ARG A 200
ASP A 202
HIS A 309
ASP A 310
TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 (-3.8A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
1.05A 1mxdA-5x7uA:
24.0
1mxdA-5x7uA:
12.73
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.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 SER A 107
VAL A 102
ILE A 187
ILE A 184
LEU A 173
None
1.01A 1qhsA-5x7uA:
undetectable
1qhsA-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9A_B_BEZB307_0
(CHLOROCATECHOL
1,2-DIOXYGENASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 382
ILE A 419
GLY A 381
TYR A 374
GLN A 397
None
1.23A 1s9aB-5x7uA:
undetectable
1s9aB-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 LEU A 345
LEU A 348
TYR A 329
LEU A 278
ILE A 356
None
1.06A 1s9pA-5x7uA:
undetectable
1s9pA-5x7uA:
14.54
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.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 1v54A-5x7uA:
undetectable
1v54C-5x7uA:
undetectable
1v54A-5x7uA:
undetectable
1v54C-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
3 / 3 ASP A 202
GLU A 311
TYR A 373
TRS  A 600 (-2.8A)
None
None
0.78A 1wsvA-5x7uA:
undetectable
1wsvA-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.27A 2dyrN-5x7uA:
undetectable
2dyrP-5x7uA:
undetectable
2dyrN-5x7uA:
undetectable
2dyrP-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.29A 2dysA-5x7uA:
undetectable
2dysC-5x7uA:
undetectable
2dysA-5x7uA:
undetectable
2dysC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 2eilA-5x7uA:
undetectable
2eilC-5x7uA:
undetectable
2eilA-5x7uA:
undetectable
2eilC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.32A 2eimN-5x7uA:
undetectable
2eimP-5x7uA:
undetectable
2eimN-5x7uA:
undetectable
2eimP-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 LEU A  52
PHE A  86
LEU A  35
PHE A  21
None
0.91A 2eimP-5x7uA:
undetectable
2eimW-5x7uA:
undetectable
2eimP-5x7uA:
undetectable
2eimW-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS1_B_017B203_1
(HIV-1 PROTEASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 GLU A 211
PRO A 219
ARG A 210
GLY A 212
None
1.20A 2hs1B-5x7uA:
undetectable
2hs1B-5x7uA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_B_CHDB927_0
(FERROCHELATASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
3 / 3 LEU A 416
PRO A 417
ARG A 342
None
0.40A 2qd4B-5x7uA:
undetectable
2qd4B-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA702_0
(FERROCHELATASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
3 / 3 LEU A 416
PRO A 417
ARG A 342
None
0.40A 2qd5A-5x7uA:
undetectable
2qd5A-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1358_1
(PROSTAGLANDIN
REDUCTASE 2)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 TYR A 537
TYR A 476
PHE A 505
LEU A 466
None
1.20A 2w98A-5x7uA:
undetectable
2w98B-5x7uA:
undetectable
2w98A-5x7uA:
12.09
2w98B-5x7uA:
12.09
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.
2WLJ_A_SPMA1303_1
(POTASSIUM CHANNEL)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
3 / 3 ARG A 343
ARG A 307
PRO A 347
None
0.89A 2wljA-5x7uA:
undetectable
2wljA-5x7uA:
13.99
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
1.19A 2x2iA-5x7uA:
12.4
2x2iA-5x7uA:
6.03
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
1.21A 2x2iB-5x7uA:
11.2
2x2iB-5x7uA:
6.03
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.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
1.17A 2x2iC-5x7uA:
11.2
2x2iC-5x7uA:
6.03
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
1.12A 2x2iD-5x7uA:
10.9
2x2iD-5x7uA:
6.03
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 2y69A-5x7uA:
undetectable
2y69C-5x7uA:
undetectable
2y69A-5x7uA:
undetectable
2y69C-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 THR A 365
SER A 352
LEU A 278
ARG A 355
ALA A 488
None
MG  A 603 (-3.6A)
None
MG  A 603 (-3.2A)
None
1.25A 2zbzA-5x7uA:
undetectable
2zbzA-5x7uA:
12.88
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.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 2zxwA-5x7uA:
undetectable
2zxwC-5x7uA:
undetectable
2zxwA-5x7uA:
undetectable
2zxwC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 2zxwN-5x7uA:
undetectable
2zxwP-5x7uA:
undetectable
2zxwN-5x7uA:
undetectable
2zxwP-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 3abkA-5x7uA:
undetectable
3abkC-5x7uA:
undetectable
3abkA-5x7uA:
undetectable
3abkC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.29A 3abmN-5x7uA:
undetectable
3abmP-5x7uA:
undetectable
3abmN-5x7uA:
undetectable
3abmP-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 3ag2A-5x7uA:
undetectable
3ag2C-5x7uA:
undetectable
3ag2A-5x7uA:
undetectable
3ag2C-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 3ag2N-5x7uA:
undetectable
3ag2P-5x7uA:
undetectable
3ag2N-5x7uA:
undetectable
3ag2P-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 7 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.29A 3ag3N-5x7uA:
undetectable
3ag3P-5x7uA:
undetectable
3ag3N-5x7uA:
undetectable
3ag3P-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.65A 3aicA-5x7uA:
5.5
3aicA-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ARG A 200
GLU A 244
HIS A 309
ASP A 310
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 ( 4.5A)
0.90A 3aicA-5x7uA:
5.5
3aicA-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.67A 3aicB-5x7uA:
7.5
3aicB-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ARG A 200
GLU A 244
HIS A 309
ASP A 310
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 ( 4.5A)
0.89A 3aicB-5x7uA:
7.5
3aicB-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
8 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TYR A  65
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
TRS  A 600 (-3.5A)
0.66A 3aicC-5x7uA:
4.6
3aicC-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
6 / 12 ARG A 200
GLU A 244
HIS A 309
ASP A 310
TYR A  65
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.5A)
TRS  A 600 ( 4.5A)
1.00A 3aicC-5x7uA:
4.6
3aicC-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.71A 3aicD-5x7uA:
2.7
3aicD-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.70A 3aicE-5x7uA:
4.7
3aicE-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.70A 3aicF-5x7uA:
7.6
3aicF-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ARG A 200
GLU A 244
HIS A 309
ASP A 310
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 ( 4.5A)
0.88A 3aicF-5x7uA:
7.6
3aicF-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.65A 3aicG-5x7uA:
7.6
3aicG-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
7 / 12 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
0.69A 3aicH-5x7uA:
4.4
3aicH-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ARG A 200
GLU A 244
HIS A 309
ASP A 310
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 ( 4.5A)
0.95A 3aicH-5x7uA:
4.4
3aicH-5x7uA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 139
THR A 213
TYR A 137
HIS A 222
None
1.28A 3asnA-5x7uA:
undetectable
3asnC-5x7uA:
undetectable
3asnA-5x7uA:
undetectable
3asnC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 8 ASP A  27
PHE A  77
ASP A  23
GLY A  28
MG  A 601 (-2.7A)
None
MG  A 601 (-3.1A)
None
0.87A 3c0zB-5x7uA:
undetectable
3c0zB-5x7uA:
11.14
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 8 LEU A  45
ALA A  11
THR A 369
ILE A 371
None
0.76A 3jusA-5x7uA:
undetectable
3jusA-5x7uA:
13.04
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 8 LEU A  45
ALA A  11
THR A 369
ILE A 371
None
0.76A 3jusA-5x7uA:
undetectable
3jusA-5x7uA:
13.04
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
None
1.28A 3o94A-5x7uA:
undetectable
3o94A-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 PHE A  86
LEU A  35
PHE A  21
LEU A  39
ILE A  42
None
1.32A 3o94A-5x7uA:
undetectable
3o94A-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
None
1.33A 3o94B-5x7uA:
undetectable
3o94B-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 PHE A  86
LEU A  35
PHE A  21
LEU A  39
ILE A  42
None
1.36A 3o94B-5x7uA:
undetectable
3o94B-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
None
1.29A 3o94C-5x7uA:
undetectable
3o94C-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 PHE A  86
LEU A  35
PHE A  21
LEU A  39
ILE A  42
None
1.32A 3o94C-5x7uA:
undetectable
3o94C-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 LEU A  35
PHE A  21
TYR A  14
LEU A  39
ILE A  42
None
1.28A 3o94D-5x7uA:
undetectable
3o94D-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 PHE A  86
LEU A  35
PHE A  21
LEU A  39
ILE A  42
None
1.31A 3o94D-5x7uA:
undetectable
3o94D-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 11 ASP A 202
GLN A 181
ILE A 187
TYR A  70
ILE A  67
TRS  A 600 (-2.8A)
None
None
None
None
1.06A 4driA-5x7uA:
undetectable
4driA-5x7uA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 5 ALA A 433
ILE A 378
LEU A 442
ASN A 430
None
1.20A 4g19A-5x7uA:
undetectable
4g19A-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H2F_A_ADNA601_1
(5'-NUCLEOTIDASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 9 GLY A  30
ARG A  19
PHE A  77
GLY A  28
ASP A  27
MG  A 601 ( 4.5A)
None
None
None
MG  A 601 (-2.7A)
1.27A 4h2fA-5x7uA:
undetectable
4h2fA-5x7uA:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ARG A 200
ASP A 202
GLU A 244
HIS A 309
ASP A 310
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
0.38A 5csyB-5x7uA:
17.0
5csyB-5x7uA:
8.16
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 LEU A 386
GLY A 387
ARG A 342
TYR A 374
TYR A 415
None
1.40A 5czyA-5x7uA:
undetectable
5czyA-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 5 LEU A  87
LEU A  39
PHE A  83
LEU A  52
None
0.92A 5gtrA-5x7uA:
undetectable
5gtrA-5x7uA:
15.88
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.
5IEN_A_VDYA201_1
(CDL2.2)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 PHE A 424
MET A 325
LEU A 349
MET A 359
LEU A 312
None
1.33A 5ienA-5x7uA:
2.4
5ienA-5x7uA:
23.74
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ASP A  62
LEU A 207
HIS A 105
GLN A 247
ARG A 389
TRS  A 600 (-3.0A)
None
TRS  A 600 (-3.9A)
None
TRS  A 600 (-3.3A)
1.32A 5m50E-5x7uA:
undetectable
5m50E-5x7uA:
12.20
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 PHE A 465
ARG A 273
ARG A 478
PRO A 367
LEU A 366
None
1.28A 5nd2B-5x7uA:
undetectable
5nd2B-5x7uA:
12.20
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.
5X19_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 5 LEU A  52
PHE A  86
LEU A  35
PHE A  21
None
0.97A 5x19C-5x7uA:
undetectable
5x19J-5x7uA:
undetectable
5x19C-5x7uA:
undetectable
5x19J-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 TYR A  65
HIS A 105
ASP A 202
HIS A 309
ASP A 310
TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
0.44A 6ag0A-5x7uA:
20.7
6ag0A-5x7uA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 6 ASP A 202
GLN A 170
GLU A 244
THR A 313
TRS  A 600 (-2.8A)
TRS  A 600 ( 4.5A)
TRS  A 600 (-2.7A)
None
1.29A 6djzA-5x7uA:
undetectable
6djzA-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
5 / 12 ALA A 330
LEU A 348
HIS A 309
LEU A 314
TYR A 326
None
1.11A 6djzC-5x7uA:
undetectable
6djzC-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
3 / 3 PHE A 505
ARG A 464
ALA A 475
None
0.99A 6ecfB-5x7uA:
undetectable
6ecfB-5x7uA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x7u TREHALOSE SYNTHASE
(Thermobaculum
terrenum)
4 / 5 LEU A 466
GLN A 467
PHE A 465
PHE A 505
None
1.18A 6nmpP-5x7uA:
undetectable
6nmpW-5x7uA:
undetectable
6nmpP-5x7uA:
undetectable
6nmpW-5x7uA:
undetectable