SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ags'

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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 ILE A 301
PRO A 281
LEU A 234
VAL A 391
TYR A 436
 None
GSH  A1449 (-4.4A)
None
None
None
 1.43A 1mrlB-4agsA:
undetectable
1mrlC-4agsA:
undetectable		 1mrlB-4agsA:
16.67
1mrlC-4agsA:
16.67
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 PHE A  69
TYR A  46
TYR A   9
 None
 0.94A 1x70B-4agsA:
undetectable		 1x70B-4agsA:
19.71
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 ILE A  22
VAL A 201
ALA A  12
VAL A 167
TYR A 215
 None
 1.28A 2g72B-4agsA:
undetectable		 2g72B-4agsA:
20.91
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.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 9 ARG A 314
GLY A 315
VAL A 312
PRO A 313
VAL A 327
 None
EDO  A1452 (-3.4A)
None
None
None
 1.04A 2nnhB-4agsA:
undetectable		 2nnhB-4agsA:
21.78
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 THR A 156
ASP A 159
VAL A 160
VAL A 163
SER A 200
 None
 1.40A 2y03B-4agsA:
undetectable		 2y03B-4agsA:
19.42
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 ALA A 177
LEU A 117
VAL A 219
ILE A 212
TYR A 235
 None
 1.09A 3fl9B-4agsA:
undetectable		 3fl9B-4agsA:
16.30
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 ALA A 177
LEU A 117
VAL A 219
ILE A 212
TYR A 235
 None
 1.08A 3fl9G-4agsA:
undetectable		 3fl9G-4agsA:
16.30
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		4 / 5 SER A 294
ARG A 245
GLY A 335
GLU A 351
 GSH  A1449 (-2.5A)
None
None
None
 1.02A 3k9fA-4agsA:
undetectable
3k9fB-4agsA:
undetectable
3k9fC-4agsA:
undetectable		 3k9fA-4agsA:
22.45
3k9fB-4agsA:
22.45
3k9fC-4agsA:
22.00
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		4 / 6 ARG A 245
SER A 294
GLY A 335
GLU A 351
 None
GSH  A1449 (-2.5A)
None
None
 1.01A 3k9fA-4agsA:
undetectable
3k9fB-4agsA:
undetectable
3k9fD-4agsA:
undetectable		 3k9fA-4agsA:
22.45
3k9fB-4agsA:
22.45
3k9fD-4agsA:
22.00
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.
3TKG_C_ROCC901_3
(PROTEASE)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 ASP A 302
THR A 285
PRO A 286
 None
 0.67A 3tkgD-4agsA:
undetectable		 3tkgD-4agsA:
12.87
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 PRO A 424
THR A 423
LEU A 252
 None
 0.77A 3ttrA-4agsA:
undetectable		 3ttrA-4agsA:
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 6 PHE A  16
ARG A  19
PRO A  56
GLU A  70
SER A  71
 GSH  A1450 (-3.6A)
None
GSH  A1450 (-4.5A)
GSH  A1450 (-3.1A)
GSH  A1450 (-2.5A)
 0.38A 3vlnA-4agsA:
24.0		 3vlnA-4agsA:
18.05
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 6 PHE A 242
ARG A 245
PRO A 281
GLU A 293
SER A 294
 GSH  A1449 (-3.5A)
None
GSH  A1449 (-4.4A)
GSH  A1449 (-3.1A)
GSH  A1449 (-2.5A)
 0.29A 3vlnA-4agsA:
24.0		 3vlnA-4agsA:
18.05
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 PRO A  43
MET A  42
TYR A  46
 None
GSH  A1450 (-4.2A)
None
 0.87A 4qa0B-4agsA:
undetectable		 4qa0B-4agsA:
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.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 PRO A  43
MET A  42
TYR A  46
 None
GSH  A1450 (-4.2A)
None
 0.85A 4qa0A-4agsA:
undetectable		 4qa0A-4agsA:
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.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 PRO A  43
MET A  42
TYR A  46
 None
GSH  A1450 (-4.2A)
None
 0.84A 4qa2B-4agsA:
undetectable		 4qa2B-4agsA:
20.44
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 11 GLN A 105
LEU A 139
LEU A 103
ALA A 104
LEU A 191
 None
 1.01A 5ji0A-4agsA:
undetectable		 5ji0A-4agsA:
20.51
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 VAL A 327
LEU A 252
ASP A 302
ALA A 385
LEU A 416
 None
 1.28A 5syfB-4agsA:
undetectable		 5syfB-4agsA:
23.39
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 TYR A 235
HIS A 258
MET A 226
 None
 1.26A 6af6A-4agsA:
1.9		 6af6A-4agsA:
24.21
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.
6C06_D_FI8D1404_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 ARG A   4
LYS A   4
ARG A  25
 None
 1.12A 6c06D-4agsA:
undetectable		 6c06D-4agsA:
undetectable
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.
6EW0_F_TA1F502_1
(TUBULIN BETA CHAIN)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		5 / 12 VAL A 327
LEU A 252
ASP A 302
ALA A 385
LEU A 416
 None
 1.17A 6ew0F-4agsA:
undetectable		 6ew0F-4agsA:
11.25
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.
6GNE_B_ACRB602_2
(-)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		4 / 8 VAL A 260
TYR A 235
TYR A 175
GLU A 221
 None
 1.27A 6gneB-4agsA:
undetectable		 6gneB-4agsA:
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.
6NKN_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ags THIOL-DEPENDENT
REDUCTASE 1
(Leishmania
infantum) 		3 / 3 ARG A 431
PHE A 242
PHE A 430
 None
GSH  A1449 (-3.5A)
None
 1.04A 6nknC-4agsA:
undetectable
6nknJ-4agsA:
undetectable		 6nknC-4agsA:
20.27
6nknJ-4agsA:
8.64