SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1x0u'

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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.84A 1fb7A-1x0uA:
undetectable
1fb7A-1x0uA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 ARG A 513
THR A 399
VAL A 400
ALA A 394
None
0.93A 1fo4B-1x0uA:
undetectable
1fo4B-1x0uA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLN A  99
VAL A  82
ILE A 116
TYR A 120
GLY A 132
None
1.20A 1fohA-1x0uA:
undetectable
1fohA-1x0uA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLN A  99
VAL A  82
ILE A 116
TYR A 120
GLY A 132
None
1.19A 1fohB-1x0uA:
undetectable
1fohB-1x0uA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLN A  99
VAL A  82
ILE A 116
TYR A 120
GLY A 132
None
1.21A 1fohC-1x0uA:
undetectable
1fohC-1x0uA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 TYR A  97
ALA A  43
GLY A 138
SER A 136
TYR A 151
None
1.15A 1nbiC-1x0uA:
undetectable
1nbiC-1x0uA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 TYR A  97
ALA A  43
GLY A 138
SER A 136
TYR A 151
None
1.15A 1nbiD-1x0uA:
undetectable
1nbiD-1x0uA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.79A 2aquA-1x0uA:
undetectable
2aquA-1x0uA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 11 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.84A 2aquB-1x0uA:
undetectable
2aquB-1x0uA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.79A 2avvB-1x0uA:
undetectable
2avvB-1x0uA:
12.26
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.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
3 / 3 ASP A 426
ILE A 354
VAL A 368
None
0.28A 2avvD-1x0uA:
undetectable
2avvD-1x0uA:
12.26
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.
2IJ7_C_TPFC2471_1
(CYTOCHROME P450 121)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 THR A 102
VAL A 103
VAL A  82
ALA A  23
None
0.92A 2ij7C-1x0uA:
undetectable
2ij7C-1x0uA:
23.16
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.
2NNP_A_ROCA401_1
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 11 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.92A 2nnpA-1x0uA:
undetectable
2nnpA-1x0uA:
12.07
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.
2O4K_A_DR7A301_2
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
None
1.23A 2o4kB-1x0uA:
undetectable
2o4kB-1x0uA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q5K_A_AB1A201_1
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 9 ALA A 347
ASP A 348
GLY A 383
ILE A 385
ILE A 342
None
0.92A 2q5kA-1x0uA:
undetectable
2q5kA-1x0uA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q5K_A_AB1A201_2
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
None
0.87A 2q5kB-1x0uA:
undetectable
2q5kB-1x0uA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.83A 2q63A-1x0uA:
undetectable
2q63A-1x0uA:
11.48
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 ILE A 141
PHE A 200
GLY A 138
GLY A 137
None
0.82A 2qx4A-1x0uA:
2.6
2qx4B-1x0uA:
2.3
2qx4A-1x0uA:
17.77
2qx4B-1x0uA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_D_MK1D902_2
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
None
1.22A 2r5pD-1x0uA:
undetectable
2r5pD-1x0uA:
17.98
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.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
3 / 3 HIS A 226
MET A 191
MET A 199
None
1.34A 2vj1A-1x0uA:
undetectable
2vj1A-1x0uA:
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.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 PRO A 375
ILE A 384
PRO A 371
GLY A 372
None
0.91A 2y7kA-1x0uA:
undetectable
2y7kA-1x0uA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 PHE A 338
PRO A 289
ILE A 342
ASN A 333
VAL A 374
None
1.06A 2zzmA-1x0uA:
undetectable
2zzmA-1x0uA:
23.42
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.
2ZZN_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 PHE A 338
PRO A 289
ILE A 342
ASN A 333
VAL A 374
None
1.07A 2zznA-1x0uA:
undetectable
2zznA-1x0uA:
23.42
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.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 GLY A 144
GLU A  69
ILE A 141
ALA A 139
None
0.80A 3aodA-1x0uA:
undetectable
3aodA-1x0uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOD_A_MIYA2001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 PHE A 338
GLY A 340
ILE A 342
ALA A 346
None
0.94A 3aodA-1x0uA:
undetectable
3aodA-1x0uA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 VAL A 368
SER A 410
HIS A 415
THR A 404
None
0.98A 3arrA-1x0uA:
undetectable
3arrA-1x0uA:
22.49
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.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 9 ARG A 513
THR A 399
VAL A 400
LEU A 364
ALA A 394
None
1.12A 3ax7B-1x0uA:
0.0
3ax7B-1x0uA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_2
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.89A 3el1B-1x0uA:
undetectable
3el1B-1x0uA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 ILE A 316
ALA A 313
GLN A 314
ARG A 293
ILE A 354
None
1.05A 3falA-1x0uA:
0.5
3falA-1x0uA:
19.85
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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
None
1.32A 3jw2B-1x0uA:
undetectable
3jw2B-1x0uA:
12.26
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.82A 3k4vA-1x0uA:
undetectable
3k4vA-1x0uA:
12.07
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.85A 3lzvA-1x0uA:
undetectable
3lzvA-1x0uA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_1
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.83A 3ndtA-1x0uA:
undetectable
3ndtA-1x0uA:
12.07
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.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 9 ARG A 466
ILE A 453
ARG A 471
LEU A 473
GLY A 440
None
1.43A 3nxuB-1x0uA:
undetectable
3nxuB-1x0uA:
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.81A 3oy4B-1x0uA:
undetectable
3oy4B-1x0uA:
11.46
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 132
GLY A  85
VAL A  82
ALA A 123
PHE A  51
None
1.26A 3qowA-1x0uA:
undetectable
3qowA-1x0uA:
23.40
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 GLY A 424
ALA A 425
ASP A 426
ILE A 354
None
0.63A 3so9A-1x0uA:
undetectable
3so9A-1x0uA:
10.73
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 GLY A 424
ALA A 425
ASP A 426
ILE A 354
None
0.47A 3t3cA-1x0uA:
undetectable
3t3cA-1x0uA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_C_ROCC901_3
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
3 / 3 ASP A 345
THR A 370
PRO A 371
None
0.67A 3tkgD-1x0uA:
undetectable
3tkgD-1x0uA:
13.61
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.
3TL9_A_ROCA401_1
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.81A 3tl9A-1x0uA:
undetectable
3tl9A-1x0uA:
13.61
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 10 ALA A 347
ASP A 348
ASP A 345
GLY A 383
ILE A 385
ILE A 342
None
1.27A 3ttpA-1x0uA:
undetectable
3ttpA-1x0uA:
12.04
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 PHE A 395
VAL A 331
ILE A 330
ILE A 499
None
0.83A 3uqbA-1x0uA:
undetectable
3uqbA-1x0uA:
16.45
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 LEU A 246
LEU A 306
ILE A 192
VAL A 318
VAL A 233
None
1.42A 3w1wB-1x0uA:
undetectable
3w1wB-1x0uA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 LYS A  40
ASP A 100
GLY A 105
LEU A 108
ASP A 135
None
1.15A 4blvB-1x0uA:
undetectable
4blvB-1x0uA:
21.40
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.85A 4dqfB-1x0uA:
undetectable
4dqfB-1x0uA:
17.42
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.
4J4V_E_SVRE301_1
(NUCLEOCAPSID PROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 329
ARG A 352
ALA A 351
VAL A 331
PHE A 305
None
1.49A 4j4vA-1x0uA:
0.5
4j4vE-1x0uA:
0.8
4j4vA-1x0uA:
20.87
4j4vE-1x0uA:
20.87
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.
4J5J_B_478B401_2
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 ALA A 332
ILE A 295
VAL A 407
ILE A 403
VAL A 300
None
1.01A 4j5jB-1x0uA:
undetectable
4j5jB-1x0uA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JEC_B_478B401_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.80A 4jecA-1x0uA:
undetectable
4jecA-1x0uA:
12.26
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.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 ALA A 394
ILE A 342
ILE A 316
VAL A 331
VAL A 318
None
0.90A 4nkvB-1x0uA:
undetectable
4nkvB-1x0uA:
21.12
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.
4NKX_A_STRA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 ALA A 394
ILE A 342
ILE A 316
VAL A 331
VAL A 318
None
0.88A 4nkxA-1x0uA:
undetectable
4nkxA-1x0uA:
21.12
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 9 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.82A 4q1wA-1x0uA:
undetectable
4q1wA-1x0uA:
11.46
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 11 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.82A 4q1xA-1x0uA:
undetectable
4q1xA-1x0uA:
16.85
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.79A 4q1yA-1x0uA:
undetectable
4q1yA-1x0uA:
16.85
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.
4QGI_A_ROCA101_1
(PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 11 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
None
0.91A 4qgiA-1x0uA:
undetectable
4qgiA-1x0uA:
11.48
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 8 ALA A 359
GLU A 397
ALA A 396
PHE A 395
LEU A 364
None
1.33A 4v1fA-1x0uA:
undetectable
4v1fB-1x0uA:
undetectable
4v1fA-1x0uA:
11.78
4v1fB-1x0uA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 8 ALA A 359
GLU A 397
ALA A 396
PHE A 395
LEU A 364
None
1.37A 4v1fA-1x0uA:
undetectable
4v1fB-1x0uA:
undetectable
4v1fA-1x0uA:
11.78
4v1fB-1x0uA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
3 / 3 ASP A 266
GLY A 268
ASP A 269
None
0.64A 4xdtA-1x0uA:
0.5
4xdtA-1x0uA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 6 TYR A 478
ILE A 406
VAL A 489
ALA A 430
None
0.83A 5cu6A-1x0uA:
undetectable
5cu6A-1x0uA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 GLU A 143
GLY A  81
SER A 107
GLY A 105
None
0.86A 5e26A-1x0uA:
undetectable
5e26B-1x0uA:
undetectable
5e26A-1x0uA:
21.55
5e26B-1x0uA:
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
3 / 3 GLY A 138
GLY A 137
GLN A  99
None
0.44A 5imsA-1x0uA:
2.4
5imsA-1x0uA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 5 GLU A 143
GLY A  81
SER A 107
GLY A 105
None
0.93A 5kprA-1x0uA:
undetectable
5kprA-1x0uA:
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 GLY A 424
ALA A 425
ASP A 426
ILE A 354
None
0.50A 5kqyB-1x0uA:
undetectable
5kqyB-1x0uA:
12.26
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 8 GLY A 424
ALA A 425
ASP A 426
ILE A 354
None
0.52A 5kr1B-1x0uA:
undetectable
5kr1B-1x0uA:
17.42
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 12 PHE A 353
GLY A 329
GLY A 319
ILE A 296
MET A 292
None
1.16A 5ul4A-1x0uA:
2.9
5ul4A-1x0uA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZBD_B_TRPB501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 ARG A 140
ALA A  43
HIS A 112
ASP A 100
GLY A 137
None
1.31A 5zbdB-1x0uA:
0.1
5zbdB-1x0uA:
21.07
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.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
None
1.17A 6dj1B-1x0uA:
undetectable
6dj1B-1x0uA:
9.86
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
5 / 10 ALA A 347
ASP A 348
GLY A 383
ILE A 385
ILE A 342
None
0.93A 6dj2A-1x0uA:
undetectable
6dj2A-1x0uA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
6 / 12 GLY A 424
ALA A 425
ASP A 426
ILE A 403
ILE A 354
VAL A 368
None
1.16A 6dj2B-1x0uA:
undetectable
6dj2B-1x0uA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 GLY A  81
SER A 136
GLY A 106
VAL A 103
None
0.92A 6ekzA-1x0uA:
undetectable
6ekzA-1x0uA:
11.19
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii)
4 / 7 VAL A 131
ILE A 116
GLY A  27
ALA A  43
None
0.90A 6hd6B-1x0uA:
undetectable
6hd6B-1x0uA:
10.11