SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4aio'

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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.80A 11gsA-4aioA:
undetectable		 11gsA-4aioA:
13.27
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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.81A 11gsB-4aioA:
undetectable		 11gsB-4aioA:
13.27
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 11 VAL A 193
TYR A 189
TYR A 191
PRO A 146
PRO A 422
 None
 1.50A 1klmA-4aioA:
undetectable		 1klmA-4aioA:
21.30
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.
1ONI_I_BEZI517_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 TYR A 766
PRO A 681
PHE A 683
ALA A 675
 None
 0.83A 1oniG-4aioA:
undetectable
1oniI-4aioA:
undetectable		 1oniG-4aioA:
10.25
1oniI-4aioA:
10.25
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.
1OPJ_A_STIA3_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 TYR A 357
VAL A 450
ILE A 478
MET A 398
 GOL  A1888 (-3.9A)
None
None
None
 1.31A 1opjA-4aioA:
undetectable		 1opjA-4aioA:
16.71
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ILE A 536
PHE A 472
SER A 445
ILE A 454
LEU A 458
 None
 1.16A 1rx3A-4aioA:
undetectable		 1rx3A-4aioA:
11.45
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 THR A  69
PRO A  65
THR A  67
 None
 0.84A 1unjF-4aioA:
undetectable		 1unjF-4aioA:
1.37
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 4 LEU A 361
PRO A 410
ILE A 420
LEU A 417
 None
 1.08A 1ya4B-4aioA:
undetectable		 1ya4B-4aioA:
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.
1YA4_C_CTXC3_2
(CES1 PROTEIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 4 LEU A 361
PRO A 410
ILE A 420
LEU A 417
 None
 0.98A 1ya4C-4aioA:
undetectable		 1ya4C-4aioA:
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.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 SER A 445
GLU A 516
ASP A 513
 None
 0.90A 2avdB-4aioA:
undetectable		 2avdB-4aioA:
14.40
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 GLY A 526
GLY A 476
GLY A 509
HIS A 477
ILE A 524
 None
None
None
None
GOL  A1885 ( 4.2A)
 1.05A 2b25A-4aioA:
undetectable		 2b25A-4aioA:
16.08
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.80A 2gssA-4aioA:
undetectable		 2gssA-4aioA:
13.17
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.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.80A 2gssB-4aioA:
undetectable		 2gssB-4aioA:
13.17
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.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 6 ASN A 598
ASN A 540
ILE A 547
THR A 619
 None
 1.19A 2hkkA-4aioA:
undetectable		 2hkkA-4aioA:
16.14
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.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 ARG A 765
LEU A 676
PRO A 883
VAL A 821
 None
 1.38A 2hrcA-4aioA:
undetectable		 2hrcA-4aioA:
17.38
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 ASP A 210
ILE A 228
ASN A 229
PHE A 134
 None
 1.27A 2jc9A-4aioA:
undetectable		 2jc9A-4aioA:
20.65
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.
2X45_A_HSMA1161_1
(ALLERGEN ARG R 1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 VAL A 467
VAL A 400
ASP A 399
SER A 309
 None
 1.10A 2x45A-4aioA:
undetectable		 2x45A-4aioA:
9.98
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.
2X45_C_HSMC1161_1
(ALLERGEN ARG R 1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 VAL A 467
VAL A 400
ASP A 399
SER A 309
 None
 1.12A 2x45C-4aioA:
undetectable		 2x45C-4aioA:
9.98
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 11 LEU A  57
LEU A  31
SER A  91
LEU A  92
LEU A 114
 None
 1.10A 2xn5A-4aioA:
undetectable		 2xn5A-4aioA:
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 GLN A 678
SER A 250
TYR A 506
SER A 774
 None
 1.25A 2xz5C-4aioA:
undetectable
2xz5D-4aioA:
undetectable		 2xz5C-4aioA:
12.95
2xz5D-4aioA:
12.95
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.
316D_C_DVAC2_0
(8-FLUORO-ACTINOMYCIN
D)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 THR A  69
PRO A  65
THR A  67
 None
 0.90A 316dC-4aioA:
undetectable		 316dC-4aioA:
1.37
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.35A 3aicA-4aioA:
undetectable		 3aicA-4aioA:
22.05
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.83A 3aicA-4aioA:
undetectable		 3aicA-4aioA:
22.05
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.33A 3aicB-4aioA:
4.7		 3aicB-4aioA:
22.05
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.84A 3aicB-4aioA:
4.7		 3aicB-4aioA:
22.05
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		6 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
TYR A 357
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
GOL  A1888 (-3.9A)
 0.37A 3aicC-4aioA:
5.3		 3aicC-4aioA:
22.05
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		6 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
TYR A 357
 None
GOL  A1888 ( 4.9A)
None
None
None
GOL  A1888 (-3.9A)
 0.81A 3aicC-4aioA:
5.3		 3aicC-4aioA:
22.05
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.41A 3aicD-4aioA:
3.0		 3aicD-4aioA:
22.05
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.82A 3aicD-4aioA:
3.0		 3aicD-4aioA:
22.05
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		6 / 12 ARG A 471
ASP A 473
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
None
 0.80A 3aicE-4aioA:
6.5		 3aicE-4aioA:
22.05
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.37A 3aicF-4aioA:
3.8		 3aicF-4aioA:
22.05
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.83A 3aicF-4aioA:
3.8		 3aicF-4aioA:
22.05
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.36A 3aicG-4aioA:
6.8		 3aicG-4aioA:
22.05
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.86A 3aicG-4aioA:
6.8		 3aicG-4aioA:
22.05
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.37A 3aicH-4aioA:
2.7		 3aicH-4aioA:
22.05
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.83A 3aicH-4aioA:
2.7		 3aicH-4aioA:
22.05
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.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 LEU A 604
THR A 608
ALA A 588
ALA A 585
 None
 1.03A 3ax9B-4aioA:
undetectable		 3ax9B-4aioA:
21.14
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 10 LEU A 676
SER A 672
ILE A 764
SER A 853
SER A 757
 None
None
None
IOD  A1893 ( 4.5A)
None
 1.37A 3ijxB-4aioA:
undetectable
3ijxD-4aioA:
undetectable		 3ijxB-4aioA:
14.89
3ijxD-4aioA:
14.89
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.
3IJX_D_HCZD800_1
(GLUTAMATE RECEPTOR 2)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 9 ILE A 764
SER A 853
SER A 757
LEU A 676
SER A 672
 None
IOD  A1893 ( 4.5A)
None
None
None
 1.29A 3ijxB-4aioA:
0.0
3ijxD-4aioA:
0.0		 3ijxB-4aioA:
14.89
3ijxD-4aioA:
14.89
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 TYR A 357
VAL A 450
ILE A 478
MET A 398
 GOL  A1888 (-3.9A)
None
None
None
 1.16A 3ik3A-4aioA:
undetectable		 3ik3A-4aioA:
16.82
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.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 TYR A 357
VAL A 450
ILE A 478
MET A 398
 GOL  A1888 (-3.9A)
None
None
None
 1.20A 3ik3B-4aioA:
undetectable		 3ik3B-4aioA:
16.82
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.81A 3n9jA-4aioA:
undetectable		 3n9jA-4aioA:
13.27
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.
3N9J_B_EAAB214_1
(GLUTATHIONE
S-TRANSFERASE P)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 PHE A 539
ILE A 254
TYR A 506
GLY A 537
 None
 0.80A 3n9jB-4aioA:
undetectable		 3n9jB-4aioA:
13.27
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.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 7 VAL A 500
LEU A 490
ASN A 229
VAL A 455
 None
 1.00A 4e1gB-4aioA:
undetectable		 4e1gB-4aioA:
20.27
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 ARG A 378
TRP A 224
GLY A 375
 None
 0.98A 4e7cA-4aioA:
undetectable		 4e7cA-4aioA:
20.34
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 GLY A 614
GLY A 626
ASN A 598
GLU A 616
 None
 1.30A 4fglC-4aioA:
undetectable		 4fglC-4aioA:
14.64
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.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ASN A 403
ILE A 478
GLY A 526
GLY A 476
ILE A 536
 GOL  A1888 ( 4.0A)
None
None
None
None
 1.05A 4kbeB-4aioA:
2.6		 4kbeB-4aioA:
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.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 LEU A 490
LEU A 493
GLY A 502
VAL A 467
HIS A 303
 None
 1.08A 4olmA-4aioA:
undetectable		 4olmA-4aioA:
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.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 TYR A 357
TRP A 355
HIS A 260
PHE A 682
 GOL  A1888 (-3.9A)
None
None
None
 1.11A 4tzcB-4aioA:
undetectable
4tzcD-4aioA:
undetectable		 4tzcB-4aioA:
8.40
4tzcD-4aioA:
8.40
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.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 GLN A 341
SER A 694
PHE A 706
SER A 702
 None
 1.01A 4ws1A-4aioA:
undetectable		 4ws1A-4aioA:
14.56
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.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 10 LEU A  57
LEU A  31
SER A  91
LEU A  92
LEU A 114
 None
 1.15A 4yiaA-4aioA:
undetectable		 4yiaA-4aioA:
18.74
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.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 ALA A 370
TYR A 369
HIS A 404
PHE A 312
 None
None
GOL  A1888 (-4.1A)
None
 1.24A 4ze2A-4aioA:
undetectable		 4ze2A-4aioA:
20.92
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.70A 5csyB-4aioA:
5.1		 5csyB-4aioA:
21.14
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 LEU A 307
PHE A 312
ILE A 261
 None
 0.66A 5dzk1-4aioA:
undetectable
5dzkF-4aioA:
2.5
5dzkM-4aioA:
undetectable		 5dzk1-4aioA:
0.65
5dzkF-4aioA:
14.02
5dzkM-4aioA:
14.69
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 ILE A 797
ILE A 543
ALA A 546
ILE A 547
 None
 0.60A 5mvmA-4aioA:
undetectable
5mvmB-4aioA:
undetectable		 5mvmA-4aioA:
7.10
5mvmB-4aioA:
7.10
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 PHE A  81
VAL A  83
ALA A   9
ALA A   7
VAL A  98
 None
 1.16A 5n0oB-4aioA:
2.4		 5n0oB-4aioA:
18.66
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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 ALA A 288
GLY A 289
ASN A 707
LEU A 259
GLU A 258
 None
 1.25A 5nwuA-4aioA:
undetectable		 5nwuA-4aioA:
6.54
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 VAL A  99
LEU A  64
ALA A   9
ARG A   8
GLY A  22
 None
 1.11A 5syeB-4aioA:
undetectable		 5syeB-4aioA:
18.00
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 GLY A 278
GLU A 381
GLY A 367
PHE A 312
VAL A 315
 None
 0.99A 5tuiB-4aioA:
undetectable		 5tuiB-4aioA:
17.30
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 LEU A 490
VAL A 455
ASP A 456
 None
 0.55A 5x23A-4aioA:
undetectable		 5x23A-4aioA:
20.09
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 LEU A 690
VAL A 660
ASP A 661
 None
 0.66A 5x23A-4aioA:
undetectable		 5x23A-4aioA:
20.09
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.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 8 PHE A 264
PHE A 282
MET A 385
LEU A 293
 None
 1.04A 5y2tB-4aioA:
undetectable		 5y2tB-4aioA:
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 VAL A 450
TYR A 425
GLU A 446
 None
 0.95A 5zmqD-4aioA:
undetectable
5zmqE-4aioA:
undetectable		 5zmqD-4aioA:
11.92
5zmqE-4aioA:
5.22
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 LEU A 394
ILE A 392
VAL A 638
LEU A 646
GLY A 289
 None
 1.19A 6a7pA-4aioA:
undetectable		 6a7pA-4aioA:
20.77
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 TYR A 257
HIS A 292
MET A 290
 None
 1.24A 6af6A-4aioA:
undetectable		 6af6A-4aioA:
19.84
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		5 / 12 TYR A 357
HIS A 404
ASP A 473
HIS A 477
HIS A 641
 GOL  A1888 (-3.9A)
GOL  A1888 (-4.1A)
GOL  A1888 (-3.0A)
None
None
 0.92A 6ag0A-4aioA:
16.0		 6ag0A-4aioA:
6.24
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 ARG A 276
HIS A 267
ARG A 262
 None
 0.97A 6dwdD-4aioA:
undetectable		 6dwdD-4aioA:
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		4 / 5 ARG A   8
GLY A 432
ASN A 431
ASP A   6
 None
 1.37A 6dwjB-4aioA:
undetectable
6dwjD-4aioA:
undetectable		 6dwjB-4aioA:
20.91
6dwjD-4aioA:
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.
6GB9_A_ACTA508_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 VAL A 203
ALA A  37
GLN A 149
 None
 0.70A 6gb9A-4aioA:
undetectable		 6gb9A-4aioA:
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.
6GNG_B_QPSB601_3
(-)		 4aio LIMIT DEXTRINASE
(Hordeum
vulgare) 		3 / 3 ASP A 687
ASP A 642
ASN A 403
 None
None
GOL  A1888 ( 4.0A)
 0.70A 6gngB-4aioA:
undetectable		 6gngB-4aioA:
22.53