SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1w1k'

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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 PHE A 353
THR A 457
LEU A 346
ALA A 319
LEU A 348
 None
 1.33A 1jipA-1w1kA:
0.0		 1jipA-1w1kA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.26A 1nsiA-1w1kA:
undetectable
1nsiB-1w1kA:
undetectable		 1nsiA-1w1kA:
21.72
1nsiB-1w1kA:
21.72
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.
1NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.27A 1nsiA-1w1kA:
undetectable
1nsiB-1w1kA:
undetectable		 1nsiA-1w1kA:
21.72
1nsiB-1w1kA:
21.72
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.
1NSI_D_H4BD603_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.26A 1nsiC-1w1kA:
0.0
1nsiD-1w1kA:
0.0		 1nsiC-1w1kA:
21.72
1nsiD-1w1kA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.16A 1qltA-1w1kA:
62.7		 1qltA-1w1kA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QLT_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.16A 1qltB-1w1kA:
62.5		 1qltB-1w1kA:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 GLY A 404
ILE A 405
GLN A 403
TRP A 165
 None
 1.02A 1rs7B-1w1kA:
undetectable		 1rs7B-1w1kA:
23.19
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 11 VAL A  75
VAL A  32
GLU A  35
GLU A  38
ILE A  29
 None
 1.16A 1t6zA-1w1kA:
undetectable		 1t6zA-1w1kA:
19.08
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.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.85A 1v55A-1w1kA:
0.0
1v55J-1w1kA:
undetectable		 1v55A-1w1kA:
22.15
1v55J-1w1kA:
6.68
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.81A 1v55N-1w1kA:
undetectable
1v55W-1w1kA:
undetectable		 1v55N-1w1kA:
22.15
1v55W-1w1kA:
6.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VAO_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.24A 1vaoA-1w1kA:
61.7		 1vaoA-1w1kA:
99.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1VAO_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.22A 1vaoB-1w1kA:
61.7		 1vaoB-1w1kA:
99.82
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.
2AOJ_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 7 LEU A 166
GLY A 178
ILE A 102
PRO A 169
VAL A 168
 None
FAD  A1561 ( 3.8A)
FAD  A1561 (-3.7A)
FAD  A1561 (-4.7A)
None
 1.22A 2aojB-1w1kA:
undetectable		 2aojB-1w1kA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 VAL A 394
ARG A 398
LEU A 280
THR A 310
 None
 1.13A 2f78A-1w1kA:
undetectable		 2f78A-1w1kA:
17.31
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.
2F78_B_BEZB1004_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 VAL A 394
ARG A 398
LEU A 280
THR A 310
 None
 1.11A 2f78B-1w1kA:
undetectable		 2f78B-1w1kA:
17.31
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 11 GLY A 145
SER A 101
SER A 175
THR A 147
GLY A 174
 None
FAD  A1561 (-2.7A)
FAD  A1561 (-4.9A)
None
FAD  A1561 (-3.3A)
 1.49A 2hmaA-1w1kA:
undetectable		 2hmaA-1w1kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 ARG A 211
GLY A 215
LYS A 237
THR A 238
 None
 1.31A 2m2oB-1w1kA:
undetectable		 2m2oB-1w1kA:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_1
(PROTEASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		6 / 12 ASP A 288
GLY A 287
ILE A 296
GLY A 433
ALA A 377
ILE A 378
 None
 1.42A 2nmzA-1w1kA:
undetectable		 2nmzA-1w1kA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.22A 2nsiA-1w1kA:
undetectable
2nsiB-1w1kA:
undetectable		 2nsiA-1w1kA:
21.72
2nsiB-1w1kA:
21.72
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 HIS A  62
LEU A  10
THR A  57
LEU A  70
 None
 0.81A 2xfhA-1w1kA:
undetectable		 2xfhA-1w1kA:
23.00
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.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.86A 3abkA-1w1kA:
undetectable
3abkJ-1w1kA:
undetectable		 3abkA-1w1kA:
22.15
3abkJ-1w1kA:
6.68
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.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.79A 3abmN-1w1kA:
undetectable
3abmW-1w1kA:
undetectable		 3abmN-1w1kA:
22.15
3abmW-1w1kA:
6.68
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.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.94A 3ag3A-1w1kA:
undetectable
3ag3J-1w1kA:
undetectable		 3ag3A-1w1kA:
22.15
3ag3J-1w1kA:
6.68
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 ARG A 398
PRO A 273
GLY A 404
TRP A 165
 None
 1.25A 3aqiA-1w1kA:
undetectable		 3aqiA-1w1kA:
19.65
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.
3AQI_B_CHDB4_0
(FERROCHELATASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 ARG A 398
PRO A 273
GLY A 404
TRP A 165
 None
 1.13A 3aqiB-1w1kA:
0.0		 3aqiB-1w1kA:
19.65
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.
3ASN_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.80A 3asnN-1w1kA:
0.0
3asnW-1w1kA:
undetectable		 3asnN-1w1kA:
22.15
3asnW-1w1kA:
6.68
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.82A 3asoN-1w1kA:
undetectable
3asoW-1w1kA:
undetectable		 3asoN-1w1kA:
22.15
3asoW-1w1kA:
6.68
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.
3E7G_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.22A 3e7gA-1w1kA:
undetectable
3e7gB-1w1kA:
undetectable		 3e7gA-1w1kA:
21.51
3e7gB-1w1kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_B_H4BB1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.23A 3e7gA-1w1kA:
undetectable
3e7gB-1w1kA:
undetectable		 3e7gA-1w1kA:
21.51
3e7gB-1w1kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_C_H4BC2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.23A 3e7gC-1w1kA:
undetectable
3e7gD-1w1kA:
undetectable		 3e7gC-1w1kA:
21.51
3e7gD-1w1kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.23A 3e7gC-1w1kA:
undetectable
3e7gD-1w1kA:
undetectable		 3e7gC-1w1kA:
21.51
3e7gD-1w1kA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GV1_A_BEZA302_0
(DISULFIDE
INTERCHANGE PROTEIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 HIS A 506
LEU A 423
ALA A 421
PRO A  60
 None
 1.19A 3gv1A-1w1kA:
undetectable
3gv1C-1w1kA:
undetectable		 3gv1A-1w1kA:
12.81
3gv1C-1w1kA:
12.81
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.
3OKX_B_SAMB201_2
(YAEB-LIKE PROTEIN
RPA0152)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 5 HIS A 466
SER A 426
ASP A 170
THR A 459
 EUG  A1562 ( 4.8A)
EUG  A1562 ( 4.8A)
FAD  A1561 ( 3.6A)
EUG  A1562 ( 4.0A)
 1.47A 3okxB-1w1kA:
undetectable		 3okxB-1w1kA:
16.85
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.01A 3ou6A-1w1kA:
undetectable		 3ou6A-1w1kA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.04A 3ou6B-1w1kA:
undetectable		 3ou6B-1w1kA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 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_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.04A 3ou6C-1w1kA:
undetectable		 3ou6C-1w1kA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.04A 3ou7B-1w1kA:
undetectable		 3ou7B-1w1kA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.03A 3ou7C-1w1kA:
undetectable		 3ou7C-1w1kA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 GLY A 207
PRO A 230
GLN A 233
GLU A 231
 None
 1.00A 3s3mA-1w1kA:
undetectable		 3s3mA-1w1kA:
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 GLY A 207
PRO A 230
GLN A 233
GLU A 231
 None
 0.95A 3s3nA-1w1kA:
undetectable		 3s3nA-1w1kA:
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 PHE A 353
ALA A 374
PHE A 375
ALA A 304
 None
 0.87A 3t3sD-1w1kA:
undetectable		 3t3sD-1w1kA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 8 GLY A 186
GLY A 191
ILE A 267
LEU A 269
VAL A 176
 None
 1.18A 3v1nA-1w1kA:
undetectable		 3v1nA-1w1kA:
22.03
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 PRO A  77
LEU A 121
LEU A  97
ILE A  86
PHE A  93
 None
 1.08A 4a7aB-1w1kA:
undetectable		 4a7aB-1w1kA:
21.44
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.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 TRP A 368
PHE A 383
GLU A 369
ILE A 371
 None
 1.24A 4cx7A-1w1kA:
undetectable
4cx7B-1w1kA:
undetectable		 4cx7A-1w1kA:
21.72
4cx7B-1w1kA:
21.72
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.
4CX7_C_H4BC600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.27A 4cx7C-1w1kA:
undetectable
4cx7D-1w1kA:
undetectable		 4cx7C-1w1kA:
21.72
4cx7D-1w1kA:
21.72
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 GLY A 404
ILE A 405
GLN A 403
TRP A 165
 None
 0.95A 4d39B-1w1kA:
undetectable		 4d39B-1w1kA:
22.03
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 GLN A 512
ILE A 471
VAL A 469
PHE A 425
 None
 1.01A 4dx7B-1w1kA:
2.6		 4dx7B-1w1kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ARG A 183
GLY A 184
ASN A 105
GLU A 182
 None
FAD  A1561 (-3.3A)
FAD  A1561 (-4.0A)
FAD  A1561 (-4.1A)
 1.03A 4g0vA-1w1kA:
undetectable		 4g0vA-1w1kA:
19.86
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 ARG A 183
GLY A 184
ASN A 105
GLU A 182
 None
FAD  A1561 (-3.3A)
FAD  A1561 (-4.0A)
FAD  A1561 (-4.1A)
 1.08A 4g0vB-1w1kA:
2.3		 4g0vB-1w1kA:
19.86
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.
4II8_A_010A210_0
(LYSOZYME C)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 GLU A 410
ASP A 317
ILE A 455
TRP A 413
 None
None
None
FAD  A1561 ( 4.1A)
 1.19A 4ii8A-1w1kA:
undetectable		 4ii8A-1w1kA:
12.19
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.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 GLY A 404
ILE A 405
GLN A 403
TRP A 165
 None
 1.00A 4kcnA-1w1kA:
undetectable		 4kcnA-1w1kA:
23.15
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.
4NOS_C_H4BC2011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 371
TRP A 368
PHE A 383
GLU A 369
 None
 1.24A 4nosC-1w1kA:
undetectable
4nosD-1w1kA:
undetectable		 4nosC-1w1kA:
21.81
4nosD-1w1kA:
21.81
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.
4OBW_A_SAMA602_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 ASP A 415
ASN A 474
SER A  50
 None
 0.87A 4obwA-1w1kA:
undetectable		 4obwA-1w1kA:
19.93
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.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 ILE A 468
ASP A 170
ARG A 504
 EUG  A1562 (-4.0A)
FAD  A1561 ( 3.6A)
FAD  A1561 ( 3.4A)
 0.80A 4pstA-1w1kA:
undetectable		 4pstA-1w1kA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.78A 5b1bA-1w1kA:
0.0
5b1bJ-1w1kA:
undetectable		 5b1bA-1w1kA:
22.15
5b1bJ-1w1kA:
6.68
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.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 SER A 426
GLY A 547
ASP A 511
ARG A 114
 EUG  A1562 ( 4.8A)
None
None
None
 0.95A 5cdnT-1w1kA:
2.4
5cdnU-1w1kA:
undetectable		 5cdnT-1w1kA:
23.01
5cdnU-1w1kA:
18.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FXF_A_BEZA601_0
(EUGENOL OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 9 TYR A 108
VAL A 185
TYR A 187
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 4.1A)
FAD  A1561 (-4.7A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.58A 5fxfA-1w1kA:
52.7		 5fxfA-1w1kA:
46.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FXF_B_BEZB601_0
(EUGENOL OXIDASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		6 / 10 TYR A 108
ASP A 170
VAL A 185
TYR A 187
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
FAD  A1561 ( 3.6A)
EUG  A1562 ( 4.1A)
FAD  A1561 (-4.7A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.56A 5fxfB-1w1kA:
52.9		 5fxfB-1w1kA:
46.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 ILE A 296
ARG A 300
LEU A 305
PHE A 353
ARG A 312
 None
 1.36A 5k7uA-1w1kA:
undetectable		 5k7uA-1w1kA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMD_C_6UBC1304_1
(ION TRANSPORT
PROTEIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 5 ILE A 265
LEU A 253
GLY A 252
PHE A 254
 None
 0.95A 5kmdC-1w1kA:
undetectable
5kmdD-1w1kA:
undetectable		 5kmdC-1w1kA:
19.90
5kmdD-1w1kA:
19.90
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 9 LEU A 166
GLY A 178
ILE A 102
PRO A 169
VAL A 168
 None
FAD  A1561 ( 3.8A)
FAD  A1561 (-3.7A)
FAD  A1561 (-4.7A)
None
 1.10A 5kr2D-1w1kA:
undetectable		 5kr2D-1w1kA:
11.26
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.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 THR A 310
CYH A 470
TRP A 413
LEU A 316
 None
EUG  A1562 ( 4.3A)
FAD  A1561 ( 4.1A)
None
 1.47A 5kxiD-1w1kA:
undetectable
5kxiE-1w1kA:
0.0		 5kxiD-1w1kA:
21.14
5kxiE-1w1kA:
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.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 TYR A 358
SER A 278
TRP A 165
 None
 0.93A 5n8jB-1w1kA:
undetectable		 5n8jB-1w1kA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		5 / 12 LEU A 315
ILE A 455
GLY A 456
LEU A 346
ASN A 352
 None
 1.15A 5nfjB-1w1kA:
undetectable		 5nfjB-1w1kA:
18.44
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.
5ODI_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 HIS A 240
GLU A 132
TRP A 235
 None
 1.18A 5odiD-1w1kA:
undetectable		 5odiD-1w1kA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODQ_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 HIS A 240
GLU A 132
TRP A 235
 None
 1.21A 5odqD-1w1kA:
undetectable		 5odqD-1w1kA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODR_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 HIS A 240
GLU A 132
TRP A 235
 None
 1.17A 5odrD-1w1kA:
undetectable		 5odrD-1w1kA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		3 / 3 GLY A 107
LEU A 423
HIS A 506
 None
 0.68A 5u63B-1w1kA:
undetectable		 5u63B-1w1kA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 7 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.91A 5xdqN-1w1kA:
0.0
5xdqW-1w1kA:
undetectable		 5xdqN-1w1kA:
22.15
5xdqW-1w1kA:
6.68
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.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 6 TYR A 187
VAL A 168
GLU A 410
ARG A 398
 FAD  A1561 (-4.7A)
None
None
None
 0.79A 5z3jA-1w1kA:
undetectable		 5z3jA-1w1kA:
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.88A 5zcpN-1w1kA:
undetectable
5zcpW-1w1kA:
undetectable		 5zcpN-1w1kA:
22.15
5zcpW-1w1kA:
6.68
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.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 8 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.82A 5zcqN-1w1kA:
0.0
5zcqW-1w1kA:
undetectable		 5zcqN-1w1kA:
22.15
5zcqW-1w1kA:
6.68
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.
6NMP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1w1k VANILLYL-ALCOHOL
OXIDASE
(Penicillium
simplicissimum) 		4 / 5 ILE A 250
LEU A 253
ARG A 211
LEU A 204
 None
 0.92A 6nmpN-1w1kA:
0.0
6nmpW-1w1kA:
undetectable		 6nmpN-1w1kA:
22.15
6nmpW-1w1kA:
6.68