SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5aq1'

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.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 GLN A 204
PRO A 206
GLU A 207
GLU A 175
 None
 1.19A 1dtlA-5aq1A:
undetectable		 1dtlA-5aq1A:
15.78
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.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 GLY A 149
ARG A 153
MET A 147
PHE A 157
 None
 0.96A 1gsfC-5aq1A:
undetectable		 1gsfC-5aq1A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 9 LEU A 236
PHE A 237
GLY A 201
ALA A 202
LEU A  74
 None
 1.06A 1nr6A-5aq1A:
undetectable		 1nr6A-5aq1A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_C_BEZC505_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 TYR A 354
ILE A 287
GLU A 285
PHE A 296
 None
None
BG6  A 550 (-2.6A)
None
 1.44A 1oniA-5aq1A:
undetectable
1oniC-5aq1A:
undetectable		 1oniA-5aq1A:
13.88
1oniC-5aq1A:
13.88
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 ARG A 429
ALA A 277
ILE A 398
PRO A 396
 None
 1.03A 1oniH-5aq1A:
0.7
1oniI-5aq1A:
0.8		 1oniH-5aq1A:
13.88
1oniI-5aq1A:
13.88
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		3 / 3 ARG A 109
SER A 110
TYR A 151
 NDP  A 551 (-3.3A)
NDP  A 551 (-2.6A)
NDP  A 551 (-4.3A)
 0.98A 2q2hA-5aq1A:
undetectable
2q2hB-5aq1A:
undetectable		 2q2hA-5aq1A:
15.32
2q2hB-5aq1A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 PHE A 219
ARG A 495
LEU A 249
ILE A 330
GLU A 239
 None
 1.28A 2v0mC-5aq1A:
undetectable		 2v0mC-5aq1A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 ALA A 381
ILE A 399
ILE A 302
TYR A 506
 None
 0.90A 2zm8A-5aq1A:
undetectable		 2zm8A-5aq1A:
23.09
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.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 ALA A 381
ILE A 399
ILE A 302
TYR A 506
 None
 0.90A 2zmaA-5aq1A:
undetectable		 2zmaA-5aq1A:
23.58
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.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 4 ILE A 505
GLN A 312
ILE A 302
LEU A 316
 None
 0.83A 3dzyD-5aq1A:
undetectable		 3dzyD-5aq1A:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 257
GLN A 280
LEU A 410
VAL A 254
THR A 318
 None
 1.15A 3ix9B-5aq1A:
2.0		 3ix9B-5aq1A:
17.14
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 276
PHE A 267
ILE A 434
LEU A 317
VAL A 279
 None
 1.14A 3s3vA-5aq1A:
undetectable		 3s3vA-5aq1A:
16.70
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.
4F4D_A_CHDA506_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 4 PRO A 346
LEU A 509
ILE A 302
ARG A 303
 None
 1.39A 4f4dA-5aq1A:
3.4		 4f4dA-5aq1A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 PHE A 283
VAL A 305
HIS A 247
TYR A 248
 None
None
BG6  A 550 (-3.8A)
BG6  A 550 (-4.4A)
 1.17A 4f5zA-5aq1A:
undetectable		 4f5zA-5aq1A:
21.31
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 GLY A  75
GLY A  78
LEU A 186
PRO A 187
VAL A 190
 NDP  A 551 ( 4.1A)
NDP  A 551 (-3.0A)
NDP  A 551 (-4.8A)
NDP  A 551 (-4.3A)
NDP  A 551 (-4.9A)
 0.62A 4gc9A-5aq1A:
3.6		 4gc9A-5aq1A:
22.09
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.
4KMM_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 MET A 253
PRO A 475
SER A 480
VAL A 472
 None
 1.26A 4kmmA-5aq1A:
4.3		 4kmmA-5aq1A:
21.88
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 GLU A 479
LEU A 130
PHE A  90
ARG A 133
 None
 1.09A 4twdF-5aq1A:
undetectable
4twdJ-5aq1A:
undetectable		 4twdF-5aq1A:
21.05
4twdJ-5aq1A:
21.05
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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 VAL A 305
ILE A 306
TYR A 506
LEU A 338
ILE A 505
 None
 1.25A 5b8iC-5aq1A:
undetectable		 5b8iC-5aq1A:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGI_A_ZITA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 PRO A 378
HIS A 511
GLU A 224
ALA A 502
 None
 1.09A 5igiA-5aq1A:
undetectable		 5igiA-5aq1A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		 5aq1 GLUCOSE-6-PHOSPHATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		5 / 12 ILE A 245
LEU A 249
LEU A 181
GLU A 484
ALA A 327
 None
 1.06A 5uxdB-5aq1A:
undetectable		 5uxdB-5aq1A:
22.40