SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gdn'

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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 LEU A 201
ILE A 254
ARG A 483
VAL A  51
None
0.88A 1db1A-3gdnA:
undetectable
1db1A-3gdnA:
18.98
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.
1E73_M_ASCM995_0
(MYROSINASE MA1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 GLN A 515
ILE A 511
ARG A 507
TYR A 508
None
1.33A 1e73M-3gdnA:
undetectable
1e73M-3gdnA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EIZ_A_SAMA301_0
(FTSJ)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 GLY A 261
GLY A 463
GLY A 462
LEU A 265
LEU A 266
FAD  A 522 ( 4.0A)
None
None
None
None
1.01A 1eizA-3gdnA:
2.3
1eizA-3gdnA:
16.37
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.
1EJ0_A_SAMA301_0
(FTSJ)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 GLY A 261
GLY A 463
GLY A 462
LEU A 265
LEU A 266
FAD  A 522 ( 4.0A)
None
None
None
None
1.01A 1ej0A-3gdnA:
undetectable
1ej0A-3gdnA:
16.37
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 7 LEU A 201
VAL A 213
GLY A 212
TYR A  11
None
1.03A 1lweA-3gdnA:
undetectable
1lweA-3gdnA:
19.26
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
6 / 12 GLY A  35
GLY A 104
SER A 107
LEU A 201
LEU A 103
LEU A 200
FAD  A 522 (-3.3A)
None
None
None
None
None
1.48A 1mx1F-3gdnA:
undetectable
1mx1F-3gdnA:
22.24
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 PHE A 302
ASN A 304
ILE A 434
GLY A 433
None
0.77A 1oniA-3gdnA:
undetectable
1oniB-3gdnA:
undetectable
1oniA-3gdnA:
16.91
1oniB-3gdnA:
16.91
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 PHE A 302
ASN A 304
ILE A 434
GLY A 433
None
0.77A 1oniD-3gdnA:
undetectable
1oniF-3gdnA:
undetectable
1oniD-3gdnA:
16.91
1oniF-3gdnA:
16.91
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 7 ILE A 434
GLY A 433
PHE A 302
ASN A 304
None
0.67A 1oniG-3gdnA:
undetectable
1oniI-3gdnA:
undetectable
1oniG-3gdnA:
16.91
1oniI-3gdnA:
16.91
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 SER A 488
LEU A 470
LEU A 277
VAL A 291
ILE A 479
None
1.12A 1uobA-3gdnA:
undetectable
1uobA-3gdnA:
20.84
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 ALA A  42
GLY A  35
GLY A 104
SER A 107
LEU A 201
None
FAD  A 522 (-3.3A)
None
None
None
0.85A 1ya4A-3gdnA:
undetectable
1ya4A-3gdnA:
22.40
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
6 / 11 ARG A 380
GLY A 261
ALA A 257
ASP A 486
ILE A  31
ILE A 220
None
FAD  A 522 ( 4.0A)
FAD  A 522 (-3.6A)
FAD  A 522 (-4.7A)
None
None
1.38A 2aquB-3gdnA:
undetectable
2aquB-3gdnA:
10.08
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 8 LEU A 482
VAL A 285
VAL A 291
VAL A 255
None
0.93A 2bdmA-3gdnA:
undetectable
2bdmA-3gdnA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FL5_F_RBFF204_1
(IMMUNOGLOBULIN IGG1
LAMBDA LIGHT CHAIN
IMMUNOGLOBULIN IGG1
HEAVY CHAIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 8 TYR A  63
ASN A  75
ARG A  88
TYR A  74
None
1.08A 2fl5E-3gdnA:
undetectable
2fl5F-3gdnA:
undetectable
2fl5E-3gdnA:
18.27
2fl5F-3gdnA:
22.27
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 8 ILE A 260
PHE A 387
GLY A 463
GLY A 462
None
0.80A 2qx4A-3gdnA:
undetectable
2qx4B-3gdnA:
2.9
2qx4A-3gdnA:
18.67
2qx4B-3gdnA:
18.67
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])
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 ILE A 260
PHE A 387
GLY A 463
GLY A 462
None
0.81A 2qx6A-3gdnA:
3.0
2qx6B-3gdnA:
2.7
2qx6A-3gdnA:
18.67
2qx6B-3gdnA:
18.67
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 8 HIS A 214
SER A  58
ASP A  17
ALA A  62
None
1.15A 2rk8A-3gdnA:
undetectable
2rk8A-3gdnA:
21.67
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 LEU A 410
VAL A 426
GLY A 425
ILE A 305
GLU A 427
None
1.18A 2yy8A-3gdnA:
undetectable
2yy8B-3gdnA:
undetectable
2yy8A-3gdnA:
15.85
2yy8B-3gdnA:
15.85
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 CYH A  39
GLY A  38
GLY A  34
GLY A 104
ARG A  56
None
None
None
None
FAD  A 522 (-4.2A)
0.92A 3huoB-3gdnA:
undetectable
3huoB-3gdnA:
19.81
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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 8 TYR A 457
GLY A 180
SER A 322
ILE A 321
HBX  A 530 (-4.3A)
None
None
None
0.84A 3ihzB-3gdnA:
undetectable
3ihzB-3gdnA:
12.45
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.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 THR A 119
LYS A   1
GLU A 178
NAG  A 525 (-3.5A)
None
NAG  A 525 (-3.7A)
0.90A 3ijdB-3gdnA:
undetectable
3ijdB-3gdnA:
21.97
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 SER A  91
ASP A 297
TYR A 389
PRO A 344
None
1.18A 3jqaC-3gdnA:
3.3
3jqaC-3gdnA:
20.50
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 SER A  91
ASP A 297
TYR A 389
PRO A 344
None
1.21A 3jqaD-3gdnA:
3.4
3jqaD-3gdnA:
20.50
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.92A 3ln1A-3gdnA:
undetectable
3ln1A-3gdnA:
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.93A 3ln1B-3gdnA:
undetectable
3ln1B-3gdnA:
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.92A 3ln1C-3gdnA:
undetectable
3ln1C-3gdnA:
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.92A 3ln1D-3gdnA:
undetectable
3ln1D-3gdnA:
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 GLY A 105
GLY A 104
SER A 107
LEU A 200
FAD  A 522 (-3.1A)
None
None
None
0.77A 3o9mB-3gdnA:
undetectable
3o9mB-3gdnA:
22.24
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.
3OU6_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 TYR A 368
ASP A 395
ASP A 324
None
0.85A 3ou6B-3gdnA:
2.4
3ou6B-3gdnA:
18.34
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 PHE A 162
SER A 322
GLN A 327
None
0.82A 3smtA-3gdnA:
undetectable
3smtA-3gdnA:
20.86
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 LEU A  76
VAL A  73
PHE A 330
PHE A 355
None
None
HBX  A 530 (-4.0A)
None
1.01A 3soaA-3gdnA:
undetectable
3soaA-3gdnA:
21.84
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.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 LEU A 228
ILE A 220
VAL A 271
LEU A 266
VAL A 469
None
1.15A 3w67A-3gdnA:
undetectable
3w67A-3gdnA:
19.20
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.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 LEU A 265
VAL A 255
ALA A 230
PHE A 222
SER A 269
None
1.31A 4evrA-3gdnA:
3.7
4evrA-3gdnA:
22.33
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.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 HIS A   7
GLY A 104
ILE A 108
None
0.60A 4k50A-3gdnA:
undetectable
4k50A-3gdnA:
22.36
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.
4K50_J_ACTJ701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 HIS A   7
GLY A 104
ILE A 108
None
0.60A 4k50I-3gdnA:
undetectable
4k50I-3gdnA:
22.36
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
1.43A 4kotA-3gdnA:
undetectable
4kotA-3gdnA:
14.75
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 10 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
1.41A 4kouA-3gdnA:
undetectable
4kouA-3gdnA:
14.75
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
1.41A 4kowA-3gdnA:
undetectable
4kowA-3gdnA:
14.75
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 6 SER A 107
GLN A 499
VAL A 141
THR A 144
None
FAD  A 522 (-4.6A)
None
None
1.29A 4lnxA-3gdnA:
undetectable
4lnxA-3gdnA:
18.08
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.
4MWR_A_ZMRA513_2
(NEURAMINIDASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 5 LEU A 470
ASP A 473
ARG A 483
ILE A 513
None
1.20A 4mwrA-3gdnA:
undetectable
4mwrA-3gdnA:
21.77
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 ILE A 108
GLY A  34
GLY A 105
ILE A  31
LEU A 209
None
None
FAD  A 522 (-3.1A)
None
None
1.08A 4mwzA-3gdnA:
undetectable
4mwzA-3gdnA:
19.15
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 GLY A 506
ILE A 254
GLY A 472
PHE A 490
PHE A 501
None
None
None
MXN  A 531 (-3.7A)
MXN  A 531 (-3.8A)
1.11A 4qoiA-3gdnA:
undetectable
4qoiB-3gdnA:
2.5
4qoiA-3gdnA:
18.60
4qoiB-3gdnA:
18.60
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 HIS A 177
SER A 496
THR A 158
THR A 181
SER A 329
NAG  A 523 (-4.0A)
None
None
None
None
1.38A 4qvyV-3gdnA:
0.6
4qvyb-3gdnA:
undetectable
4qvyV-3gdnA:
16.92
4qvyb-3gdnA:
18.31
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.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 HIS A 177
SER A 496
THR A 158
THR A 181
SER A 329
NAG  A 523 (-4.0A)
None
None
None
None
1.38A 4qvyH-3gdnA:
undetectable
4qvyN-3gdnA:
undetectable
4qvyH-3gdnA:
16.92
4qvyN-3gdnA:
18.31
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 7 LEU A 266
SER A 269
ILE A 220
VAL A 233
None
1.03A 4tvtA-3gdnA:
undetectable
4tvtA-3gdnA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 7 TYR A 348
SER A 332
LEU A 432
PHE A 355
None
1.03A 4uymA-3gdnA:
undetectable
4uymA-3gdnA:
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 7 TYR A 457
ILE A 406
HIS A 497
LEU A 319
HBX  A 530 (-4.3A)
None
HBX  A 530 ( 3.9A)
None
1.24A 4xo7B-3gdnA:
undetectable
4xo7B-3gdnA:
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 VAL A 469
SER A 488
VAL A 271
LEU A 267
LEU A 295
None
1.12A 4y8wB-3gdnA:
undetectable
4y8wB-3gdnA:
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_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 5 SER A 269
ARG A  56
GLY A  33
GLU A  55
None
FAD  A 522 (-4.2A)
FAD  A 522 (-3.3A)
FAD  A 522 (-2.8A)
1.21A 5btiA-3gdnA:
undetectable
5btiB-3gdnA:
undetectable
5btiA-3gdnA:
22.07
5btiB-3gdnA:
21.18
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.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 5 SER A 269
ARG A  56
GLY A  33
GLU A  55
None
FAD  A 522 (-4.2A)
FAD  A 522 (-3.3A)
FAD  A 522 (-2.8A)
1.21A 5btiC-3gdnA:
undetectable
5btiD-3gdnA:
undetectable
5btiC-3gdnA:
22.07
5btiD-3gdnA:
21.18
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.
5DBY_A_NPSA602_1
(SERUM ALBUMIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 LEU A 465
PHE A 474
LEU A 505
TYR A 502
SER A 125
None
None
None
FAD  A 522 (-4.5A)
MXN  A 531 (-4.1A)
1.44A 5dbyA-3gdnA:
0.5
5dbyA-3gdnA:
20.31
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
6 / 11 ALA A 111
ARG A 300
HIS A 357
TYR A 457
TRP A 458
HIS A 497
FAD  A 522 ( 3.0A)
None
HBX  A 530 (-4.5A)
HBX  A 530 (-4.3A)
FAD  A 522 (-3.9A)
HBX  A 530 ( 3.9A)
0.35A 5eb5A-3gdnA:
64.6
5eb5A-3gdnA:
74.44
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
6 / 10 ALA A 111
ARG A 300
HIS A 357
TYR A 457
TRP A 458
HIS A 497
FAD  A 522 ( 3.0A)
None
HBX  A 530 (-4.5A)
HBX  A 530 (-4.3A)
FAD  A 522 (-3.9A)
HBX  A 530 ( 3.9A)
0.36A 5eb5B-3gdnA:
64.8
5eb5B-3gdnA:
74.44
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 VAL A 291
HIS A 288
LEU A 228
THR A 229
ARG A 475
None
1.30A 5hnxB-3gdnA:
undetectable
5hnxB-3gdnA:
21.59
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 5 PRO A 299
HIS A 497
LEU A 409
PHE A 330
None
HBX  A 530 ( 3.9A)
None
HBX  A 530 (-4.0A)
1.46A 5igjA-3gdnA:
undetectable
5igjA-3gdnA:
20.93
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
3 / 3 TYR A  11
TYR A 147
SER A   5
None
0.80A 5iktB-3gdnA:
undetectable
5iktB-3gdnA:
22.85
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.92A 5jw1A-3gdnA:
undetectable
5jw1A-3gdnA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.96A 5jw1B-3gdnA:
undetectable
5jw1B-3gdnA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.93A 5kirA-3gdnA:
undetectable
5kirA-3gdnA:
22.41
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
0.93A 5kirB-3gdnA:
undetectable
5kirB-3gdnA:
22.41
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)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 HIS A 177
SER A 496
THR A 158
THR A 181
SER A 329
NAG  A 523 (-4.0A)
None
None
None
None
1.37A 5l5fV-3gdnA:
undetectable
5l5fb-3gdnA:
undetectable
5l5fV-3gdnA:
16.92
5l5fb-3gdnA:
18.31
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.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 11 HIS A 177
SER A 496
THR A 158
THR A 181
SER A 329
NAG  A 523 (-4.0A)
None
None
None
None
1.37A 5l5fH-3gdnA:
undetectable
5l5fN-3gdnA:
undetectable
5l5fH-3gdnA:
16.92
5l5fN-3gdnA:
18.31
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.
5VKQ_A_PCFA1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 10 TYR A 418
ILE A 305
ILE A 431
ILE A 311
ASN A 309
None
1.24A 5vkqA-3gdnA:
undetectable
5vkqD-3gdnA:
undetectable
5vkqA-3gdnA:
15.43
5vkqD-3gdnA:
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.
5VKQ_B_PCFB1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 10 ILE A 311
ASN A 309
TYR A 418
ILE A 305
ILE A 431
None
1.25A 5vkqA-3gdnA:
undetectable
5vkqB-3gdnA:
undetectable
5vkqA-3gdnA:
15.43
5vkqB-3gdnA:
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.
5VKQ_D_PCFD1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
5 / 10 ILE A 311
ASN A 309
TYR A 418
ILE A 305
ILE A 431
None
1.20A 5vkqC-3gdnA:
undetectable
5vkqD-3gdnA:
undetectable
5vkqC-3gdnA:
15.43
5vkqD-3gdnA:
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.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus
dulcis)
4 / 5 THR A 259
CYH A 464
THR A 489
GLY A 487
None
None
None
FAD  A 522 (-3.6A)
1.18A 6gtqA-3gdnA:
1.8
6gtqA-3gdnA:
15.74