SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4j57'

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.
2DPM_A_SAMA300_0
(PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1))		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 GLY A 356
GLY A  53
GLY A  52
ALA A 372
PHE A  70
 FAD  A 601 (-3.2A)
None
FAD  A 601 (-3.4A)
None
None
 1.12A 2dpmA-4j57A:
undetectable		 2dpmA-4j57A:
20.56
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)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
None
 1.29A 3bexC-4j57A:
undetectable
3bexD-4j57A:
undetectable		 3bexC-4j57A:
18.45
3bexD-4j57A:
18.45
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 10 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.30A 3bexC-4j57A:
undetectable
3bexD-4j57A:
undetectable		 3bexC-4j57A:
18.45
3bexD-4j57A:
18.45
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 10 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
None
 1.28A 3bexE-4j57A:
undetectable
3bexF-4j57A:
undetectable		 3bexE-4j57A:
18.45
3bexF-4j57A:
18.45
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.28A 3bexE-4j57A:
undetectable
3bexF-4j57A:
undetectable		 3bexE-4j57A:
18.45
3bexF-4j57A:
18.45
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
None
 1.31A 3bf1A-4j57A:
2.2
3bf1B-4j57A:
undetectable		 3bf1A-4j57A:
18.45
3bf1B-4j57A:
18.45
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.31A 3bf1C-4j57A:
undetectable
3bf1D-4j57A:
undetectable		 3bf1C-4j57A:
18.45
3bf1D-4j57A:
18.45
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 ASN A 337
GLY A 322
THR A 192
ILE A 190
LEU A 325
 None
None
FAD  A 601 (-3.6A)
None
None
 1.31A 3bf1E-4j57A:
undetectable
3bf1F-4j57A:
undetectable		 3bf1E-4j57A:
18.45
3bf1F-4j57A:
18.45
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 LEU A 325
ASN A 337
GLY A 322
THR A 192
ILE A 190
 None
None
None
FAD  A 601 (-3.6A)
None
 1.33A 3bf1E-4j57A:
undetectable
3bf1F-4j57A:
undetectable		 3bf1E-4j57A:
18.45
3bf1F-4j57A:
18.45
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 7 THR A 309
VAL A 227
THR A 225
VAL A 248
 None
 0.64A 3em0B-4j57A:
undetectable		 3em0B-4j57A:
14.95
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 VAL A 297
LEU A 226
VAL A 202
GLY A 204
ALA A 205
 None
 1.09A 3nt1A-4j57A:
1.5		 3nt1A-4j57A:
20.13
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.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 VAL A 297
LEU A 226
VAL A 202
GLY A 204
ALA A 205
 None
 1.09A 3nt1B-4j57A:
1.5		 3nt1B-4j57A:
20.13
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.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 7 PHE A 240
ILE A 198
THR A 225
THR A  87
 None
None
None
FAD  A 601 (-3.6A)
 1.14A 3nxuA-4j57A:
undetectable		 3nxuA-4j57A:
23.17
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.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 11 VAL A 297
LEU A 226
VAL A 202
GLY A 204
ALA A 205
 None
 1.05A 3pghB-4j57A:
undetectable		 3pghB-4j57A:
20.13
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 VAL A 297
LEU A 226
VAL A 202
GLY A 204
ALA A 205
 None
 1.06A 3pghD-4j57A:
1.7		 3pghD-4j57A:
20.13
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 7 GLY A 483
ALA A 482
ALA A 513
ASP A 512
 None
 0.86A 3ur0B-4j57A:
undetectable		 3ur0B-4j57A:
21.54
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 7 PHE A 279
VAL A 227
GLY A 239
THR A 399
 None
 0.99A 4ejjB-4j57A:
undetectable		 4ejjB-4j57A:
21.42
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 6 SER A 152
GLY A  48
ASP A  71
GLY A  52
 None
FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.4A)
 0.99A 4koeA-4j57A:
undetectable
4koeB-4j57A:
undetectable
4koeC-4j57A:
undetectable		 4koeA-4j57A:
23.14
4koeB-4j57A:
23.14
4koeC-4j57A:
18.78
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 6 LEU A 244
LEU A 218
THR A 225
VAL A 248
 None
 0.84A 4udaA-4j57A:
undetectable		 4udaA-4j57A:
17.97
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		3 / 3 SER A 107
GLU A 274
GLU A 428
 None
 0.80A 4ymgB-4j57A:
2.3		 4ymgB-4j57A:
20.45
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 6 GLY A  48
ASP A  71
GLY A  52
SER A 152
 FAD  A 601 (-3.4A)
FAD  A 601 (-3.6A)
FAD  A 601 (-3.4A)
None
 0.98A 4z53A-4j57A:
undetectable
4z53B-4j57A:
undetectable		 4z53A-4j57A:
23.30
4z53B-4j57A:
23.30
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 LEU A 376
ALA A  60
LEU A 380
VAL A 154
 None
 1.16A 5cr1A-4j57A:
undetectable		 5cr1A-4j57A:
11.18
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 SER A 243
HIS A 104
GLY A 103
ASP A 112
LEU A 111
 None
 1.37A 5eeiA-4j57A:
undetectable		 5eeiA-4j57A:
18.13
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 SER A 243
HIS A 104
GLY A 103
ASP A 112
LEU A 111
 None
 1.38A 5eeiB-4j57A:
undetectable		 5eeiB-4j57A:
18.13
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 8 VAL A  73
LEU A  69
TYR A 156
GLY A  49
 FAD  A 601 (-3.5A)
None
None
FAD  A 601 ( 4.8A)
 0.75A 5f1aA-4j57A:
1.3		 5f1aA-4j57A:
21.49
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.26A 5hm8A-4j57A:
3.6		 5hm8A-4j57A:
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.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.26A 5hm8B-4j57A:
3.7		 5hm8B-4j57A:
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.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.26A 5hm8D-4j57A:
3.6		 5hm8D-4j57A:
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.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.26A 5hm8E-4j57A:
3.7		 5hm8E-4j57A:
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.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.26A 5hm8F-4j57A:
4.5		 5hm8F-4j57A:
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 THR A 486
GLU A 402
THR A 399
LEU A 257
 None
 1.24A 5hm8G-4j57A:
undetectable		 5hm8G-4j57A:
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.
5JWA_A_ACTA612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		3 / 3 LYS A 382
ASP A 383
ARG A 379
 None
 1.10A 5jwaA-4j57A:
22.5
5jwaH-4j57A:
22.6		 5jwaA-4j57A:
23.50
5jwaH-4j57A:
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.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 THR A 399
ALA A 405
GLY A 404
ALA A 482
THR A 486
 None
 1.33A 5l5zH-4j57A:
undetectable
5l5zI-4j57A:
undetectable		 5l5zH-4j57A:
18.06
5l5zI-4j57A:
18.24
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.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 12 THR A 399
ALA A 405
GLY A 404
ALA A 482
THR A 486
 None
 1.33A 5l5zV-4j57A:
undetectable
5l5zW-4j57A:
undetectable		 5l5zV-4j57A:
18.06
5l5zW-4j57A:
18.24
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.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		5 / 9 GLY A 193
VAL A 358
ALA A 354
LEU A 189
LEU A 323
 FAD  A 601 (-3.3A)
None
None
None
FAD  A 601 (-4.9A)
 0.98A 5lw1H-4j57A:
undetectable		 5lw1H-4j57A:
11.00
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 4j57 THIOREDOXIN
REDUCTASE 2
(Plasmodium
falciparum) 		4 / 5 VAL A 358
LEU A 323
VAL A 169
LEU A 328
 None
FAD  A 601 (-4.9A)
None
None
 0.93A 6bqgA-4j57A:
3.2		 6bqgA-4j57A:
10.23