SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2x50'

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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 SER A 178
ILE A 199
LEU A 227
PHE A 203
ALA A 365
 FAD  A1487 ( 4.0A)
NDP  A1488 (-3.9A)
None
None
None
 1.03A 1tlsA-2x50A:
undetectable		 1tlsA-2x50A:
20.52
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 SER A 178
ILE A 199
LEU A 227
PHE A 203
ALA A 365
 FAD  A1487 ( 4.0A)
NDP  A1488 (-3.9A)
None
None
None
 1.01A 1tsnA-2x50A:
undetectable		 1tsnA-2x50A:
20.52
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		3 / 3 ALA A 324
THR A 329
PHE A 345
 None
 0.78A 2c6nB-2x50A:
undetectable		 2c6nB-2x50A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 6 PHE A 122
PHE A 114
GLY A  13
GLY A  16
 None
None
FAD  A1487 (-3.1A)
None
 0.83A 2qr2A-2x50A:
undetectable
2qr2B-2x50A:
undetectable		 2qr2A-2x50A:
19.83
2qr2B-2x50A:
19.83
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 5 GLY A  13
GLY A  16
PHE A 122
PHE A 114
 FAD  A1487 (-3.1A)
None
None
None
 0.85A 2qr2A-2x50A:
undetectable
2qr2B-2x50A:
undetectable		 2qr2A-2x50A:
19.83
2qr2B-2x50A:
19.83
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.
2XF3_A_J01A500_1
(ORF12)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 10 ILE A 372
LEU A 219
LEU A 227
GLY A 197
ALA A 200
 None
None
None
NDP  A1488 (-3.2A)
None
 1.13A 2xf3A-2x50A:
undetectable		 2xf3A-2x50A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_A_SAMA301_1
(HYPOTHETICAL PROTEIN
TTHA0223)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 5 TYR A 478
GLU A 233
ARG A 483
ASP A 231
 None
 1.38A 2yqzA-2x50A:
undetectable		 2yqzA-2x50A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_B_SAMB401_1
(HYPOTHETICAL PROTEIN
TTHA0223)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 5 TYR A 478
GLU A 233
ARG A 483
ASP A 231
 None
 1.40A 2yqzB-2x50A:
2.0		 2yqzB-2x50A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 11 LEU A 157
GLY A  20
VAL A  31
ILE A 158
ALA A 159
 None
None
None
None
FAD  A1487 (-4.4A)
 1.14A 2yy8A-2x50A:
undetectable
2yy8B-2x50A:
4.0		 2yy8A-2x50A:
18.69
2yy8B-2x50A:
18.69
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 6 LEU A 242
GLY A 246
LEU A 238
SER A 237
 None
 0.85A 3aiaA-2x50A:
undetectable		 3aiaA-2x50A:
18.83
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 8 HIS A 408
ASN A 245
ILE A 369
ARG A  74
 None
 1.07A 3ccfB-2x50A:
3.3		 3ccfB-2x50A:
20.70
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.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 6 TYR A 110
GLY A  15
GLU A 341
GLU A 347
 None
FAD  A1487 (-4.0A)
None
None
 1.09A 3fpjA-2x50A:
2.5		 3fpjA-2x50A:
20.90
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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 8 TYR A 278
ASP A 218
GLY A 243
ILE A 247
 None
 0.89A 3ihzB-2x50A:
undetectable		 3ihzB-2x50A:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAE_H_LFXH101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 5 SER A 368
GLY A 229
GLU A 379
GLU A 380
 None
 1.39A 3raeB-2x50A:
undetectable
3raeD-2x50A:
undetectable		 3raeB-2x50A:
21.50
3raeD-2x50A:
21.20
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 None
 1.20A 4azsA-2x50A:
3.0		 4azsA-2x50A:
22.46
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.
4AZW_A_SAMA1451_0
(WBDD)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 None
 1.27A 4azwA-2x50A:
3.6		 4azwA-2x50A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 11 SER A 178
ILE A 199
LEU A 227
GLY A 205
PHE A 203
 FAD  A1487 ( 4.0A)
NDP  A1488 (-3.9A)
None
None
None
 1.34A 4fogA-2x50A:
undetectable		 4fogA-2x50A:
20.20
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1487 (-3.1A)
None
None
None
None
 1.01A 4htfB-2x50A:
2.2		 4htfB-2x50A:
20.54
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1487 (-3.1A)
None
FAD  A1487 (-3.5A)
FAD  A1487 (-4.4A)
FAD  A1487 (-2.6A)
 1.16A 4kicA-2x50A:
3.3		 4kicA-2x50A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 9 MET A 191
PHE A 207
ALA A 200
GLY A 205
ALA A  46
 None
None
None
None
FAD  A1487 (-3.5A)
 1.46A 4l6va-2x50A:
undetectable
4l6vf-2x50A:
undetectable		 4l6va-2x50A:
22.65
4l6vf-2x50A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 4 ASN A 208
GLY A 246
ASP A  84
ASP A  71
 None
 1.39A 4n49A-2x50A:
undetectable		 4n49A-2x50A:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 GLY A 342
LEU A 157
VAL A 328
ARG A 331
VAL A  33
 None
 1.19A 4okxA-2x50A:
undetectable		 4okxA-2x50A:
18.42
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 8 ALA A 159
VAL A   9
GLY A  15
ALA A 338
GLY A 342
 FAD  A1487 (-4.4A)
None
FAD  A1487 (-4.0A)
FAD  A1487 ( 3.8A)
None
 1.31A 4zjzB-2x50A:
undetectable		 4zjzB-2x50A:
22.54
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 11 SER A  14
ALA A 343
GLY A 342
ALA A 338
ASP A 327
 FAD  A1487 (-3.5A)
None
None
FAD  A1487 ( 3.8A)
FAD  A1487 (-2.6A)
 1.24A 5bxnV-2x50A:
undetectable
5bxnW-2x50A:
undetectable		 5bxnV-2x50A:
19.08
5bxnW-2x50A:
17.05
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.
5HGC_A_HCYA501_1
(SERPIN)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 PRO A 336
THR A 348
ILE A 325
SER A 315
ASN A 340
 FAD  A1487 (-4.4A)
None
None
None
None
 1.40A 5hgcA-2x50A:
undetectable		 5hgcA-2x50A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 VAL A 137
GLU A 149
PHE A 122
LEU A  48
THR A  39
 None
None
None
None
SO4  A1491 (-3.2A)
 1.28A 5hnxB-2x50A:
undetectable		 5hnxB-2x50A:
22.43
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.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 SER A  14
ALA A 343
GLY A 342
ALA A 338
ASP A 327
 FAD  A1487 (-3.5A)
None
None
FAD  A1487 ( 3.8A)
FAD  A1487 (-2.6A)
 1.24A 5l5zV-2x50A:
undetectable
5l5zW-2x50A:
undetectable		 5l5zV-2x50A:
18.27
5l5zW-2x50A:
17.05
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		3 / 3 THR A 473
MET A 471
HIS A 455
 None
 0.85A 5uunA-2x50A:
undetectable		 5uunA-2x50A:
20.55
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		5 / 12 LEU A 157
VAL A 328
GLY A  13
ALA A  12
LEU A 120
 None
None
FAD  A1487 (-3.1A)
None
None
 1.18A 5x23A-2x50A:
undetectable		 5x23A-2x50A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 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_ACRA605_0
(ALPHA-AMYLASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 8 TYR A 216
GLY A 246
ILE A 247
PRO A 188
 None
 0.78A 6ag0A-2x50A:
undetectable		 6ag0A-2x50A:
10.04
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.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 8 TYR A 216
GLY A 246
ILE A 247
PRO A 188
 None
 0.71A 6ag0C-2x50A:
undetectable		 6ag0C-2x50A:
10.04
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.
6EU9_D_READ601_1
(RETINOIC ACID
RECEPTOR)		 2x50 TRYPANOTHIONE
REDUCTASE
(Leishmania
infantum) 		4 / 7 PHE A 114
GLY A  13
LEU A  10
GLY A 127
 None
FAD  A1487 (-3.1A)
None
FAD  A1487 (-3.6A)
 0.70A 6eu9D-2x50A:
undetectable		 6eu9D-2x50A:
11.83