SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qae'

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.
1CTR_A_TFPA153_1
(CALMODULIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 9 ILE A 415
LEU A 423
GLU A 452
ALA A 453
VAL A 399
 None
 1.20A 1ctrA-2qaeA:
undetectable		 1ctrA-2qaeA:
15.51
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 ALA A 430
GLY A 425
ILE A 424
VAL A 440
 None
 0.73A 1d4sB-2qaeA:
undetectable		 1d4sB-2qaeA:
11.73
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.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 9 LEU A 461
VAL A 413
GLY A 412
ALA A 427
LEU A 454
 None
 1.07A 1e7bA-2qaeA:
undetectable		 1e7bA-2qaeA:
22.26
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 187
PHE A 233
GLY A 223
ALA A 224
GLY A 397
 None
 1.00A 1fe2A-2qaeA:
undetectable		 1fe2A-2qaeA:
21.03
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 GLY A 441
HIS A 445
ALA A 435
THR A 443
ALA A 430
 None
 1.21A 1gtnO-2qaeA:
undetectable
1gtnP-2qaeA:
undetectable		 1gtnO-2qaeA:
10.26
1gtnP-2qaeA:
10.26
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.
1GTN_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 GLY A 441
HIS A 445
ALA A 435
THR A 443
ALA A 430
 None
 1.20A 1gtnU-2qaeA:
undetectable
1gtnV-2qaeA:
undetectable		 1gtnU-2qaeA:
10.26
1gtnV-2qaeA:
10.26
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 THR A 443
GLY A 441
ALA A 435
ALA A 430
ILE A 410
 None
 0.99A 1likA-2qaeA:
2.7		 1likA-2qaeA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 ALA A  17
GLY A  10
GLY A   9
ILE A   8
ILE A 312
 None
None
FAD  A 480 (-3.6A)
FAD  A 480 (-4.7A)
None
 0.94A 1sdvA-2qaeA:
undetectable		 1sdvA-2qaeA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE3_B_SAMB301_0
(HYPOTHETICAL PROTEIN
PH0226)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ALA A 334
GLY A 330
ILE A 336
ALA A 338
ILE A  19
 None
 1.13A 1ve3B-2qaeA:
4.4		 1ve3B-2qaeA:
18.84
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.
2V0Z_O_C41O1327_1
(RENIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 VAL A 179
GLY A 183
ALA A 194
VAL A 202
GLY A 186
 None
 0.90A 2v0zO-2qaeA:
undetectable		 2v0zO-2qaeA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 ARG A 274
ILE A  47
LEU A  95
TYR A  15
 FAD  A 480 (-3.9A)
None
None
None
 1.07A 2ya7A-2qaeA:
undetectable		 2ya7A-2qaeA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 ARG A 274
ILE A  47
LEU A  95
TYR A  15
 FAD  A 480 (-3.9A)
None
None
None
 1.07A 2ya7B-2qaeA:
undetectable		 2ya7B-2qaeA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_D_ZMRD1776_2
(NEURAMINIDASE A)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 ARG A 274
ILE A  47
LEU A  95
TYR A  15
 FAD  A 480 (-3.9A)
None
None
None
 1.07A 2ya7D-2qaeA:
undetectable		 2ya7D-2qaeA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 142
ILE A 141
GLY A 313
ALA A 311
VAL A  16
 None
None
FAD  A 480 (-3.4A)
None
None
 0.99A 2yvlA-2qaeA:
3.0		 2yvlA-2qaeA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 142
ILE A 141
GLY A 313
ALA A 311
VAL A  16
 None
None
FAD  A 480 (-3.4A)
None
None
 1.00A 2yvlB-2qaeA:
3.1		 2yvlB-2qaeA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 142
ILE A 141
GLY A 313
ALA A 311
VAL A  16
 None
None
FAD  A 480 (-3.4A)
None
None
 0.96A 2yvlC-2qaeA:
2.8		 2yvlC-2qaeA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 THR A 137
ILE A   8
ALA A 143
VAL A 296
LEU A 283
 None
FAD  A 480 (-4.7A)
None
None
None
 1.15A 3a51E-2qaeA:
undetectable		 3a51E-2qaeA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.10A 3bexC-2qaeA:
undetectable
3bexD-2qaeA:
undetectable		 3bexC-2qaeA:
19.11
3bexD-2qaeA:
19.11
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.11A 3bexC-2qaeA:
undetectable
3bexD-2qaeA:
undetectable		 3bexC-2qaeA:
19.11
3bexD-2qaeA:
19.11
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.10A 3bexE-2qaeA:
undetectable
3bexF-2qaeA:
undetectable		 3bexE-2qaeA:
19.11
3bexF-2qaeA:
19.11
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.10A 3bexE-2qaeA:
undetectable
3bexF-2qaeA:
undetectable		 3bexE-2qaeA:
19.11
3bexF-2qaeA:
19.11
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.15A 3bf1A-2qaeA:
undetectable
3bf1B-2qaeA:
2.0		 3bf1A-2qaeA:
19.11
3bf1B-2qaeA:
19.11
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.20A 3bf1A-2qaeA:
undetectable
3bf1B-2qaeA:
2.0		 3bf1A-2qaeA:
19.11
3bf1B-2qaeA:
19.11
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.10A 3bf1C-2qaeA:
undetectable
3bf1D-2qaeA:
undetectable		 3bf1C-2qaeA:
19.11
3bf1D-2qaeA:
19.11
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.14A 3bf1C-2qaeA:
undetectable
3bf1D-2qaeA:
undetectable		 3bf1C-2qaeA:
19.11
3bf1D-2qaeA:
19.11
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.09A 3bf1E-2qaeA:
undetectable
3bf1F-2qaeA:
undetectable		 3bf1E-2qaeA:
19.11
3bf1F-2qaeA:
19.11
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.13A 3bf1E-2qaeA:
undetectable
3bf1F-2qaeA:
undetectable		 3bf1E-2qaeA:
19.11
3bf1F-2qaeA:
19.11
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.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 GLY A 186
GLY A 181
LEU A 162
SER A 163
ALA A 167
 None
 0.97A 3dcmX-2qaeA:
2.5		 3dcmX-2qaeA:
19.19
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.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ALA A 167
LEU A 269
ILE A 185
ARG A 274
ALA A 194
 None
None
FAD  A 480 (-4.3A)
FAD  A 480 (-3.9A)
None
 1.36A 3lbdA-2qaeA:
undetectable		 3lbdA-2qaeA:
19.96
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 VAL A 192
GLY A 166
ALA A 167
SER A 164
LEU A 189
 None
None
None
FAD  A 480 (-3.6A)
None
 1.29A 3pghA-2qaeA:
undetectable		 3pghA-2qaeA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_1
(PROTEASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 187
GLY A 223
ALA A 224
GLY A 397
ILE A 353
 None
 0.91A 3s54A-2qaeA:
undetectable		 3s54A-2qaeA:
12.85
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.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 402
ALA A 430
ILE A 415
LEU A 454
VAL A 440
 None
 1.19A 3w67C-2qaeA:
undetectable		 3w67C-2qaeA:
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 GLU A 368
SER A 361
VAL A 359
ILE A 353
LEU A 187
 None
 1.41A 4k36A-2qaeA:
undetectable		 4k36A-2qaeA:
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.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 GLU A 368
SER A 361
VAL A 359
ILE A 353
LEU A 187
 None
 1.43A 4k37A-2qaeA:
undetectable		 4k37A-2qaeA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 GLU A 368
SER A 361
VAL A 359
ILE A 353
LEU A 187
 None
 1.39A 4k38A-2qaeA:
undetectable
4k38D-2qaeA:
undetectable		 4k38A-2qaeA:
21.52
4k38D-2qaeA:
4.47
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.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ASN A 219
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.07A 4nkvA-2qaeA:
undetectable		 4nkvA-2qaeA:
21.36
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.
4NKV_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ASN A 219
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.06A 4nkvC-2qaeA:
undetectable		 4nkvC-2qaeA:
21.36
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.
4NKV_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ASN A 219
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.06A 4nkvD-2qaeA:
undetectable		 4nkvD-2qaeA:
21.36
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.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 187
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.06A 4nkxD-2qaeA:
undetectable		 4nkxD-2qaeA:
21.36
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.10A 4o5fA-2qaeA:
undetectable
4o5fB-2qaeA:
undetectable		 4o5fA-2qaeA:
21.11
4o5fB-2qaeA:
21.11
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.
4Y1D_D_DVAD5_0
(CYCLIC HEXAPEPTIDE
CYC[NDPOPPKID]
INTEGRASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		3 / 3 GLU A 114
LYS A  33
ASN A 126
 None
FAD  A 480 (-4.6A)
None
 0.90A 4y1dA-2qaeA:
undetectable
4y1dD-2qaeA:
undetectable		 4y1dA-2qaeA:
16.85
4y1dD-2qaeA:
1.85
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.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 LEU A 168
PRO A  48
LEU A 189
GLU A 188
 None
 1.03A 4z4fA-2qaeA:
undetectable		 4z4fA-2qaeA:
19.82
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 VAL A 253
LEU A 268
ILE A 180
THR A 201
 None
 0.77A 4zf8A-2qaeA:
undetectable		 4zf8A-2qaeA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 8 ALA A 143
VAL A   7
GLY A  13
ALA A 326
GLY A 330
 None
None
FAD  A 480 (-3.6A)
FAD  A 480 ( 3.9A)
None
 1.21A 4zjzB-2qaeA:
undetectable		 4zjzB-2qaeA:
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 VAL A 288
THR A 140
ILE A   8
LEU A 281
THR A 144
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
 1.10A 5b8hA-2qaeA:
undetectable
5b8hB-2qaeA:
undetectable		 5b8hA-2qaeA:
19.59
5b8hB-2qaeA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.09A 5b8hA-2qaeA:
undetectable
5b8hB-2qaeA:
undetectable		 5b8hA-2qaeA:
19.59
5b8hB-2qaeA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 5 SER A 361
ALA A 351
HIS A 414
LEU A 213
 None
 1.21A 5dzkb-2qaeA:
undetectable
5dzkp-2qaeA:
undetectable		 5dzkb-2qaeA:
21.06
5dzkp-2qaeA:
3.77
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.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 SER A 361
ALA A 351
HIS A 414
LEU A 213
 None
 1.26A 5dzkg-2qaeA:
undetectable
5dzku-2qaeA:
undetectable		 5dzkg-2qaeA:
21.06
5dzku-2qaeA:
3.77
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 11 ALA A 224
ALA A 220
VAL A 416
LEU A 187
VAL A 359
 None
 1.15A 5eb5A-2qaeA:
11.7		 5eb5A-2qaeA:
23.12
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 10 ALA A 224
ALA A 220
VAL A 416
LEU A 187
VAL A 359
 None
 1.23A 5eb5B-2qaeA:
11.6		 5eb5B-2qaeA:
23.12
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 185
GLY A 186
GLY A 181
LEU A 151
THR A 243
 FAD  A 480 (-4.3A)
None
None
None
None
 1.11A 5eqbA-2qaeA:
undetectable		 5eqbA-2qaeA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 SER A  49
GLY A 166
ALA A 167
SER A 163
LEU A 269
 FAD  A 480 ( 3.8A)
None
None
None
None
 1.10A 5jvzB-2qaeA:
undetectable		 5jvzB-2qaeA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 SER A  49
GLY A 166
ALA A 167
SER A 163
LEU A 269
 FAD  A 480 ( 3.8A)
None
None
None
None
 1.12A 5kirB-2qaeA:
undetectable		 5kirB-2qaeA:
20.69
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.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 LEU A 168
PRO A  48
LEU A 189
GLU A 188
 None
 1.06A 5t7bA-2qaeA:
undetectable		 5t7bA-2qaeA:
19.70
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.
5TJY_A_BEZA304_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		3 / 3 MET A 321
GLU A 147
ARG A 274
 None
None
FAD  A 480 (-3.9A)
 0.96A 5tjyA-2qaeA:
4.4		 5tjyA-2qaeA:
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		3 / 3 MET A 321
GLU A 147
ARG A 274
 None
None
FAD  A 480 (-3.9A)
 0.98A 5tjzA-2qaeA:
3.3		 5tjzA-2qaeA:
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.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 2qae DIHYDROLIPOYL
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 115
GLY A 113
PHE A 117
CYH A  30
THR A 144
 FAD  A 480 (-3.8A)
None
None
None
FAD  A 480 (-3.9A)
 1.47A 5yf0A-2qaeA:
3.1		 5yf0A-2qaeA:
20.74