SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3red'

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.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 LEU A 201
ILE A 255
ARG A 484
VAL A  51
None
0.91A 1db1A-3redA:
undetectable
1db1A-3redA:
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.
1EIZ_A_SAMA301_0
(FTSJ)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 GLY A 262
GLY A 464
GLY A 463
LEU A 266
LEU A 267
FAD  A 773 ( 4.0A)
None
None
FAD  A 773 ( 4.6A)
None
0.99A 1eizA-3redA:
2.4
1eizA-3redA:
15.18
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.
1EJ0_A_SAMA301_0
(FTSJ)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 GLY A 262
GLY A 464
GLY A 463
LEU A 266
LEU A 267
FAD  A 773 ( 4.0A)
None
None
FAD  A 773 ( 4.6A)
None
0.98A 1ej0A-3redA:
2.4
1ej0A-3redA:
15.18
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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
0.98A 1eqhA-3redA:
undetectable
1eqhA-3redA:
21.16
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.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
1.02A 1eqhB-3redA:
undetectable
1eqhB-3redA:
21.16
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
6 / 12 GLY A  35
GLY A 104
SER A 107
LEU A 201
LEU A 103
LEU A 200
FAD  A 773 (-3.4A)
None
None
None
None
None
1.46A 1mx1F-3redA:
undetectable
1mx1F-3redA:
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 PHE A 303
ASN A 305
ILE A 435
GLY A 434
None
0.75A 1oniA-3redA:
undetectable
1oniB-3redA:
undetectable
1oniA-3redA:
14.68
1oniB-3redA:
14.68
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_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 PHE A 303
ASN A 305
ILE A 435
GLY A 434
None
0.75A 1oniD-3redA:
undetectable
1oniF-3redA:
undetectable
1oniD-3redA:
14.68
1oniF-3redA:
14.68
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_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 7 ILE A 435
GLY A 434
PHE A 303
ASN A 305
None
0.68A 1oniG-3redA:
undetectable
1oniI-3redA:
undetectable
1oniG-3redA:
14.68
1oniI-3redA:
14.68
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_A_CTXA1_1
(CES1 PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 ALA A  42
GLY A  35
GLY A 104
SER A 107
LEU A 201
None
FAD  A 773 (-3.4A)
None
None
None
0.86A 1ya4A-3redA:
undetectable
1ya4A-3redA:
21.37
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.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
3 / 3 SER A 489
VAL A 470
LEU A 471
None
0.71A 1yajG-3redA:
undetectable
1yajG-3redA:
21.37
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.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 8 TYR A  63
ASN A  75
ARG A  88
TYR A  74
None
1.03A 2fl5E-3redA:
undetectable
2fl5F-3redA:
undetectable
2fl5E-3redA:
18.91
2fl5F-3redA:
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.
2IEO_A_017A402_2
(PROTEASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A  54
VAL A 256
ILE A 221
VAL A  30
VAL A  32
None
None
None
None
FAD  A 773 ( 4.9A)
0.74A 2ieoB-3redA:
undetectable
2ieoB-3redA:
10.64
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 7 GLY A 104
GLY A 105
VAL A 211
LEU A 201
None
FAD  A 773 (-3.3A)
None
None
0.72A 2oa1B-3redA:
8.9
2oa1B-3redA:
22.96
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 8 ILE A 261
PHE A 388
GLY A 464
GLY A 463
None
0.77A 2qx4A-3redA:
2.0
2qx4B-3redA:
undetectable
2qx4A-3redA:
16.67
2qx4B-3redA:
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 ILE A 261
PHE A 388
GLY A 464
GLY A 463
None
0.79A 2qx6A-3redA:
2.4
2qx6B-3redA:
2.4
2qx6A-3redA:
16.67
2qx6B-3redA:
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.
2V0M_D_KLND1499_1
(CYTOCHROME P450 3A4)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 PHE A 343
PHE A 359
PHE A 356
ILE A 427
None
1.26A 2v0mD-3redA:
undetectable
2v0mD-3redA:
22.57
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_D_KLND1499_1
(CYTOCHROME P450 3A4)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 PHE A 344
PHE A 359
PHE A 356
ILE A 427
None
1.04A 2v0mD-3redA:
undetectable
2v0mD-3redA:
22.57
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.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 THR A 184
LEU A 183
THR A 318
ASN A 190
VAL A 146
None
1.47A 2vaxI-3redA:
undetectable
2vaxI-3redA:
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.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 7 PRO A 492
ILE A 121
PRO A 366
GLY A 365
None
0.92A 2y7kA-3redA:
undetectable
2y7kA-3redA:
18.81
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 CYH A  39
GLY A  38
GLY A  34
GLY A 104
ARG A  56
None
None
None
None
FAD  A 773 (-4.2A)
0.89A 3huoB-3redA:
undetectable
3huoB-3redA:
19.66
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
3 / 3 THR A 119
LYS A   1
GLU A 178
None
0.86A 3ijdB-3redA:
undetectable
3ijdB-3redA:
20.61
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.
3K8M_B_ACRB820_1
(ALPHA-AMYLASE, SUSG)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 7 TYR A 509
GLU A 517
LEU A 506
TRP A 129
None
1.38A 3k8mB-3redA:
undetectable
3k8mB-3redA:
21.40
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 SER A 197
ARG A  99
GLY A 100
GLU A  87
None
1.28A 3k9fA-3redA:
undetectable
3k9fB-3redA:
undetectable
3k9fC-3redA:
undetectable
3k9fA-3redA:
19.65
3k9fB-3redA:
19.65
3k9fC-3redA:
17.68
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)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 SER A 107
ARG A 508
GLY A 507
GLU A  47
None
1.13A 3k9fA-3redA:
undetectable
3k9fB-3redA:
undetectable
3k9fD-3redA:
undetectable
3k9fA-3redA:
19.65
3k9fB-3redA:
19.65
3k9fD-3redA:
17.68
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.96A 3ln1A-3redA:
undetectable
3ln1A-3redA:
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.97A 3ln1B-3redA:
undetectable
3ln1B-3redA:
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.96A 3ln1C-3redA:
undetectable
3ln1C-3redA:
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.96A 3ln1D-3redA:
undetectable
3ln1D-3redA:
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
1.05A 3n8wA-3redA:
undetectable
3n8wA-3redA:
22.15
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 GLY A 105
GLY A 104
SER A 107
LEU A 200
FAD  A 773 (-3.3A)
None
None
None
0.81A 3o9mB-3redA:
undetectable
3o9mB-3redA:
22.15
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
0.97A 3pghC-3redA:
0.7
3pghC-3redA:
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.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
0.94A 3rr3A-3redA:
undetectable
3rr3A-3redA:
20.99
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.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
0.93A 3rr3B-3redA:
undetectable
3rr3B-3redA:
20.99
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.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 LEU A 471
VAL A 467
PHE A 491
VAL A 486
None
1.03A 3soaA-3redA:
undetectable
3soaA-3redA:
22.66
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A 296
GLY A 370
PHE A 388
ASN A 389
ILE A 372
None
0.96A 3uwlB-3redA:
undetectable
3uwlB-3redA:
21.52
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A 296
GLY A 370
PHE A 388
ASN A 389
ILE A 372
None
0.95A 3uwlD-3redA:
undetectable
3uwlD-3redA:
21.52
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.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 GLU A 253
GLY A 252
LEU A  45
TYR A  49
None
1.05A 3w9tB-3redA:
undetectable
3w9tB-3redA:
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.
3W9T_E_W9TE502_1
(HEMOLYTIC LECTIN
CEL-III)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 GLU A 253
GLY A 252
LEU A  45
TYR A  49
None
1.06A 3w9tE-3redA:
undetectable
3w9tE-3redA:
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.
3W9T_F_W9TF503_1
(HEMOLYTIC LECTIN
CEL-III)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 GLU A 253
GLY A 252
LEU A  45
TYR A  49
None
1.05A 3w9tF-3redA:
undetectable
3w9tF-3redA:
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
3 / 3 LEU A 515
GLU A 517
SER A 519
None
0.71A 4ccqA-3redA:
undetectable
4ccqA-3redA:
21.39
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.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 11 LEU A 266
VAL A 256
ALA A 231
PHE A 222
SER A 270
FAD  A 773 ( 4.6A)
None
None
None
None
1.35A 4evrA-3redA:
3.0
4evrA-3redA:
22.12
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.
4I1R_A_LZUA801_1
(MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A 209
VAL A  51
ALA A  43
GLU A  47
LEU A 515
None
1.03A 4i1rA-3redA:
undetectable
4i1rA-3redA:
23.02
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_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
3 / 3 ARG A 452
ASP A  93
ASP A  97
None
0.71A 4kicB-3redA:
undetectable
4kicB-3redA:
20.07
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)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 ARG A  99
GLY A 488
ASP A 487
GLY A 464
None
FAD  A 773 (-3.3A)
FAD  A 773 (-4.4A)
None
1.04A 4koeA-3redA:
undetectable
4koeB-3redA:
undetectable
4koeC-3redA:
undetectable
4koeA-3redA:
19.65
4koeB-3redA:
19.65
4koeC-3redA:
17.68
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 PHE A 343
ARG A 194
GLY A 112
ASN A 110
PHE A 331
None
None
FAD  A 773 (-3.9A)
FAD  A 773 (-4.3A)
None
1.42A 4kotA-3redA:
undetectable
4kotA-3redA:
15.36
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 PHE A 343
ARG A 194
GLY A 112
ASN A 110
PHE A 331
None
None
FAD  A 773 (-3.9A)
FAD  A 773 (-4.3A)
None
1.40A 4kouA-3redA:
undetectable
4kouA-3redA:
15.36
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 PHE A 343
ARG A 194
GLY A 112
ASN A 110
PHE A 331
None
None
FAD  A 773 (-3.9A)
FAD  A 773 (-4.3A)
None
1.39A 4kowA-3redA:
undetectable
4kowA-3redA:
15.36
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 SER A 107
GLN A 500
VAL A 141
THR A 144
None
FAD  A 773 (-4.4A)
None
None
1.32A 4lnxA-3redA:
undetectable
4lnxA-3redA:
19.39
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 SER A 197
GLY A 100
THR A  36
ASP A  80
ILE A 109
None
None
FAD  A 773 (-3.1A)
None
None
1.21A 4pghB-3redA:
undetectable
4pghB-3redA:
23.03
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.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
1.00A 4ph9A-3redA:
undetectable
4ph9A-3redA:
20.60
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.
4PH9_B_IBPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 VAL A 485
VAL A 272
LEU A 267
GLY A 479
LEU A 483
None
0.99A 4ph9B-3redA:
undetectable
4ph9B-3redA:
20.60
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.
4QVY_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 11 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.34A 4qvyV-3redA:
undetectable
4qvyb-3redA:
undetectable
4qvyV-3redA:
17.33
4qvyb-3redA:
17.88
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.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 11 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.34A 4qvyH-3redA:
undetectable
4qvyN-3redA:
undetectable
4qvyH-3redA:
17.33
4qvyN-3redA:
17.88
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 GLY A  35
GLY A  34
GLY A 259
ALA A 258
SER A 494
FAD  A 773 (-3.4A)
None
FAD  A 773 (-3.5A)
FAD  A 773 (-3.6A)
None
1.04A 4rtmA-3redA:
2.3
4rtmA-3redA:
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 7 LEU A 267
SER A 270
ILE A 220
VAL A 234
None
1.04A 4tvtA-3redA:
undetectable
4tvtA-3redA:
17.71
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.
4XUM_A_IMNA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 ILE A 145
PHE A   9
HIS A   7
LEU A  67
LEU A  66
None
1.26A 4xumA-3redA:
undetectable
4xumA-3redA:
20.19
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.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 470
SER A 489
VAL A 272
LEU A 268
LEU A 296
None
1.08A 4y8wA-3redA:
undetectable
4y8wA-3redA:
21.74
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 VAL A 470
SER A 489
VAL A 272
LEU A 268
LEU A 296
None
1.08A 4y8wB-3redA:
undetectable
4y8wB-3redA:
21.74
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.
4Z69_I_DIFI1006_1
(SERUM ALBUMIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 ARG A  56
ARG A  99
LEU A 374
ILE A 372
ALA A 383
FAD  A 773 (-4.2A)
None
None
None
None
1.30A 4z69I-3redA:
undetectable
4z69I-3redA:
21.90
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 VAL A 256
TYR A 138
PRO A  40
THR A 187
None
1.34A 4ze1A-3redA:
undetectable
4ze1A-3redA:
23.32
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 SER A 270
ARG A  56
GLY A  33
GLU A  55
None
FAD  A 773 (-4.2A)
FAD  A 773 (-3.2A)
FAD  A 773 (-2.8A)
1.16A 5btiA-3redA:
undetectable
5btiB-3redA:
undetectable
5btiA-3redA:
23.29
5btiB-3redA:
21.26
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 SER A 270
ARG A  56
GLY A  33
GLU A  55
None
FAD  A 773 (-4.2A)
FAD  A 773 (-3.2A)
FAD  A 773 (-2.8A)
1.19A 5btiC-3redA:
undetectable
5btiD-3redA:
undetectable
5btiC-3redA:
23.29
5btiD-3redA:
21.26
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A 466
PHE A 475
LEU A 506
TYR A 503
SER A 125
None
None
None
FAD  A 773 (-4.2A)
None
1.50A 5dbyA-3redA:
undetectable
5dbyA-3redA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_A_010A609_0
(HNL ISOENZYME 5)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
7 / 11 ALA A 111
ARG A 301
HIS A 358
VAL A 360
TYR A 458
TRP A 459
HIS A 498
FAD  A 773 (-3.0A)
None
None
None
None
FAD  A 773 (-3.8A)
FAD  A 773 (-4.4A)
0.34A 5eb5A-3redA:
64.0
5eb5A-3redA:
76.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_B_010B607_0
(HNL ISOENZYME 5)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 ALA A 111
ARG A 301
HIS A 358
VAL A 360
HIS A 460
FAD  A 773 (-3.0A)
None
None
None
FAD  A 773 ( 4.4A)
1.45A 5eb5B-3redA:
64.1
5eb5B-3redA:
76.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_B_010B607_0
(HNL ISOENZYME 5)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
7 / 10 ALA A 111
ARG A 301
HIS A 358
VAL A 360
TYR A 458
TRP A 459
HIS A 498
FAD  A 773 (-3.0A)
None
None
None
None
FAD  A 773 (-3.8A)
FAD  A 773 (-4.4A)
0.40A 5eb5B-3redA:
64.1
5eb5B-3redA:
76.72
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.
5G08_A_Z80A1187_1
(FREQUENIN 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 6 ILE A 427
PHE A 359
THR A 158
TRP A 154
None
1.33A 5g08A-3redA:
undetectable
5g08A-3redA:
15.43
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
4 / 5 PRO A 300
HIS A 498
LEU A 410
PHE A 331
None
FAD  A 773 (-4.4A)
None
None
1.43A 5igjA-3redA:
undetectable
5igjA-3redA:
22.18
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
3 / 3 TYR A  11
TYR A 147
SER A   5
None
0.87A 5iktB-3redA:
undetectable
5iktB-3redA:
21.85
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.96A 5jw1A-3redA:
undetectable
5jw1A-3redA:
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.98A 5kirA-3redA:
undetectable
5kirA-3redA:
21.85
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 TYR A 458
ALA A 496
VAL A 113
GLY A 112
ALA A 111
None
None
FAD  A 773 (-3.7A)
FAD  A 773 (-3.9A)
FAD  A 773 (-3.0A)
0.97A 5kirB-3redA:
undetectable
5kirB-3redA:
21.85
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.
5L5F_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 11 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.33A 5l5fV-3redA:
undetectable
5l5fb-3redA:
undetectable
5l5fV-3redA:
17.33
5l5fb-3redA:
17.88
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.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 11 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.33A 5l5fH-3redA:
undetectable
5l5fN-3redA:
undetectable
5l5fH-3redA:
17.33
5l5fN-3redA:
17.88
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.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.34A 5l5zV-3redA:
undetectable
5l5zb-3redA:
undetectable
5l5zV-3redA:
17.33
5l5zb-3redA:
17.88
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 HIS A 177
SER A 497
THR A 158
THR A 181
SER A 330
None
1.33A 5l5zH-3redA:
undetectable
5l5zN-3redA:
undetectable
5l5zH-3redA:
17.33
5l5zN-3redA:
17.88
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.
5VKQ_A_PCFA1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 TYR A 419
ILE A 306
ILE A 432
ILE A 312
ASN A 310
None
1.23A 5vkqA-3redA:
undetectable
5vkqD-3redA:
undetectable
5vkqA-3redA:
15.96
5vkqD-3redA:
15.96
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.
5VKQ_B_PCFB1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 ILE A 312
ASN A 310
TYR A 419
ILE A 306
ILE A 432
None
1.23A 5vkqA-3redA:
undetectable
5vkqB-3redA:
undetectable
5vkqA-3redA:
15.96
5vkqB-3redA:
15.96
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.
5VKQ_D_PCFD1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 10 ILE A 312
ASN A 310
TYR A 419
ILE A 306
ILE A 432
None
1.19A 5vkqC-3redA:
undetectable
5vkqD-3redA:
undetectable
5vkqC-3redA:
15.96
5vkqD-3redA:
15.96
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.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)
3red HYDROXYNITRILE LYASE
(Prunus
mume)
5 / 12 LEU A 296
GLY A 370
PHE A 388
ASN A 389
ILE A 372
None
0.91A 6qxsB-3redA:
undetectable
6qxsB-3redA:
21.52