POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD 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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		4 / 7SER A 302
PHE A  48
SER A  52
ILE A 119
None
0.87A15.02
21.46
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		4d4z DEOXYHYPUSINE
HYDROXYLASE
(Homo
sapiens)		4 / 7MET A  65
SER A  44
ALA A  39
ILE A  40
None
1.02A21.03
20.18
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020
(Homo
sapiens)		4 / 7SER A 215
SER A 179
ALA A 174
ILE A 173
None
0.96A17.97
21.91
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3
(Homo
sapiens)		4 / 7MET A 466
SER A 483
ALA A 481
ILE A 484
None
1.07A18.54
21.15
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6d6r EXOSOME COMPLEX
COMPONENT CSL4
(Homo
sapiens)		4 / 7PHE I  82
SER I  77
ALA I  83
ILE I 118
None
1.07Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6fuy VINCULIN
(Homo
sapiens)		4 / 7PHE A 779
PHE A 835
SER A 787
ALA A 782
None
0.83Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		2wnp FICOLIN-1
(Homo
sapiens)		4 / 7ALA F 189
TYR F 191
SER F 278
ALA F 280
None
1.07A22.31
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3ctz XAA-PRO
AMINOPEPTIDASE 1
(Homo
sapiens)		4 / 7SER A 416
ALA A 418
TYR A 420
ALA A 366
None
1.02A16.75
22.19
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3f7q INTEGRIN BETA-4
(Homo
sapiens)		4 / 7SER A1221
PRO A1220
TYR A1253
ALA A1244
None
0.93A19.07
18.04
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		4fmf POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 7SER A 209
ALA A 170
SER A 184
ALA A 193
None
1.02A22.57
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		4q58 INTEGRIN BETA-4
(Homo
sapiens)		4 / 7SER C1221
PRO C1220
TYR C1253
ALA C1244
None
0.99A19.18
15.59
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5hcc COMPLEMENT C5
(Homo
sapiens)		4 / 7MET A1057
SER A1103
ALA A1082
SER A1099
EDO  A2003 (-4.2A)
None
None
EDO  A2003 (-3.4A)
1.04A12.93
18.50
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5vgr ATLASTIN-3
(Homo
sapiens)		4 / 7ALA A 350
TYR A 324
SER A 358
ALA A 356
None
0.90A17.41
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3
(Homo
sapiens)		4 / 7ALA A 299
TYR A 300
SER A 263
ALA A 258
None
01B  A 604 (-3.5A)
None
None
1.07A19.34
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5y2z LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1
(Homo
sapiens)		4 / 7ALA B 434
TYR B 433
SER B 351
ALA B 349
None
1.06Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6flm E3 UBIQUITIN/ISG15
LIGASE TRIM25
(Homo
sapiens)		4 / 7ALA A 466
TYR A 488
SER A 473
ALA A 479
None
0.99Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6fln E3 UBIQUITIN/ISG15
LIGASE TRIM25
(Homo
sapiens)		4 / 7ALA A 466
TYR A 488
SER A 473
ALA A 479
None
1.02Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		1yrv UBIQUITIN-CONJUGATIN
G LIGASE MGC351130
(Homo
sapiens)		4 / 8PHE A 147
ALA A 129
ILE A 132
ASN A 126
None
1.03A21.86
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		2kfy HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F
(Homo
sapiens)		4 / 8PHE A  45
SER A  54
ALA A  57
ILE A  46
None
1.18A22.60
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		3e4e CYTOCHROME P450 2E1
(Homo
sapiens)		4 / 8PHE A 106
ALA A 105
ILE A 236
ASN A 219
None
1.05A16.74
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		4 / 8SER A 302
PHE A  48
SER A  52
ILE A 119
None
0.85A15.02
22.46
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		4c41 CORTICOSTEROID-BINDI
NG GLOBULIN
(Homo
sapiens)		4 / 8SER A  44
SER A 341
ALA A 327
ILE A 160
None
1.20A20.49
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		4dyo ASPARTYL
AMINOPEPTIDASE
(Homo
sapiens)		4 / 8SER A 268
SER A 344
ALA A  93
ILE A 417
None
1.13A15.91
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)		4 / 8SER X  23
SER X 264
ALA X  31
ILE X 270
MLY  X 263 ( 3.2A)
NAP  X 401 (-2.5A)
None
None
1.21A20.38
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3
(Homo
sapiens)		4 / 8MET A 466
SER A 483
ALA A 481
ILE A 484
None
1.01A18.54
21.15
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2
(Homo
sapiens)		4 / 8SER A1108
PHE A1138
ILE A1099
ASN A1106
None
0.96A19.42
18.75
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens)		4 / 8SER A1196
PHE A1226
ILE A1187
ASN A1194
None
0.85A19.07
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2INE_A_PACA317_0
(ALDOSE REDUCTASE)		2is7 ALDOSE REDUCTASE
(Homo
sapiens)		5 / 5TRP A  20
VAL A  47
TYR A  48
HIS A 110
TRP A 111
2CL  A 317 ( 3.4A)
2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 ( 4.0A)
0.10A99.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2INE_A_PACA317_0
(ALDOSE REDUCTASE)		3qpq C1068 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 5TRP H  33
VAL H  99
HIS H  35
TRP H  47
None
1.42A20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2INE_A_PACA317_0
(ALDOSE REDUCTASE)		5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)		4 / 5TRP X  21
VAL X  48
TYR X  49
HIS X 111
DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
0.40A70.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ISF_A_PACA317_0
(ALDOSE REDUCTASE)		2is7 ALDOSE REDUCTASE
(Homo
sapiens)		5 / 5TRP A  20
VAL A  47
TYR A  48
HIS A 110
TRP A 111
2CL  A 317 ( 3.4A)
2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
2CL  A 317 ( 3.8A)
NAP  A 316 ( 4.0A)
0.17A98.41
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.
2ISF_A_PACA317_0
(ALDOSE REDUCTASE)		3qpq C1068 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 5TRP H  33
VAL H  99
HIS H  35
TRP H  47
None
1.40A20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ISF_A_PACA317_0
(ALDOSE REDUCTASE)		5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)		4 / 5TRP X  21
VAL X  48
TYR X  49
HIS X 111
DQP  X 402 ( 3.5A)
DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
DQP  X 402 ( 4.1A)
0.46A70.16
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1
(Homo
sapiens)		4 / 4SER A 343
GLY A  85
GLY A 279
LYS A 280
None
1.23A23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		5u03 CTP SYNTHASE 1
(Homo
sapiens)		4 / 4SER A  51
GLY A 371
GLY A 305
LYS A 306
None
1.24A22.18
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT
(Homo
sapiens)		5 / 10PRO A 141
THR A 175
VAL A 180
GLY A 177
GLY A 178
None
1.31A23.41
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
13C
(Homo
sapiens;
)		5 / 10THR B 166
TYR A 395
VAL A 472
GLY A 400
GLY A 402
None
1.19A7.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		4ydj HEAVY CHAIN OF
ANTIBODY 44-VRC13.01
(Homo
sapiens)		5 / 10PRO H  75
TYR H  35
VAL H  24
SER H  31
GLY H  30
None
1.47A21.84
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2m3t BETA-CRYSTALLIN S
(Homo
sapiens)		5 / 12TRP A 137
PHE A 139
PHE A 173
ILE A 127
VAL A 132
None
1.28A14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2pbc FK506-BINDING
PROTEIN 2
(Homo
sapiens)		5 / 12SER A  69
PRO A  75
PHE A  78
TRP A  89
VAL A 131
None
None
None
PEG  A 201 (-3.7A)
None
1.44A9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4okh CALPAIN-3
(Homo
sapiens)		5 / 12PHE A 717
PHE A 654
ILE A 661
VAL A 681
VAL A 680
None
1.33A15.37
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens;
Escherichia
virus
T4)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
None
1.48A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		5 / 12PHE A 570
PHE A 574
VAL A  35
TRP A  21
VAL A  36
None
1.36A22.04
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		5 / 12PHE M 281
PHE M 251
ILE M 296
HIS M 300
VAL M 277
None
1.35Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2m3t BETA-CRYSTALLIN S
(Homo
sapiens)		5 / 12TRP A 137
PHE A 139
PHE A 173
ILE A 127
VAL A 132
None
1.28A14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2pbc FK506-BINDING
PROTEIN 2
(Homo
sapiens)		5 / 12SER A  69
PRO A  75
PHE A  78
TRP A  89
VAL A 131
None
None
None
PEG  A 201 (-3.7A)
None
1.44A9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
1.50A21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4okh CALPAIN-3
(Homo
sapiens)		5 / 12PHE A 717
PHE A 654
ILE A 661
VAL A 681
VAL A 680
None
1.35A15.37
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens;
Escherichia
virus
T4)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
None
1.45A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		5 / 12PHE A 570
PHE A 574
VAL A  35
TRP A  21
VAL A  36
None
1.36A22.04
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		5 / 12PHE M 281
PHE M 251
ILE M 296
HIS M 300
VAL M 277
None
1.33Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		1ey2 HOMOGENTISATE
1,2-DIOXYGENASE
(Homo
sapiens)		5 / 12PHE A 112
PHE A 147
ILE A 200
HIS A 134
VAL A  81
None
1.47A20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2m3t BETA-CRYSTALLIN S
(Homo
sapiens)		5 / 12TRP A 137
PHE A 139
PHE A 173
ILE A 127
VAL A 132
None
1.26A14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2pbc FK506-BINDING
PROTEIN 2
(Homo
sapiens)		5 / 12SER A  69
PRO A  75
PHE A  78
TRP A  89
VAL A 131
None
None
None
PEG  A 201 (-3.7A)
None
1.41A9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
1.49A21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4okh CALPAIN-3
(Homo
sapiens)		5 / 12PHE A 717
PHE A 654
ILE A 661
VAL A 681
VAL A 680
None
1.36A15.37
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5crj TRANSCRIPTION
TERMINATION FACTOR
1, MITOCHONDRIAL
(Homo
sapiens)		5 / 12SER O 292
PHE O 258
PHE O 263
ILE O 281
VAL O 320
None
1.46A19.04
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens;
Escherichia
virus
T4)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
None
1.45A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		5 / 12PHE A 570
PHE A 574
VAL A  35
TRP A  21
VAL A  36
None
1.36A22.04
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		5 / 12PHE M 281
PHE M 251
ILE M 296
HIS M 300
VAL M 277
None
1.34Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2m3t BETA-CRYSTALLIN S
(Homo
sapiens)		5 / 12TRP A 137
PHE A 139
PHE A 173
ILE A 127
VAL A 132
None
1.27A14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2pbc FK506-BINDING
PROTEIN 2
(Homo
sapiens)		5 / 12SER A  69
PRO A  75
PHE A  78
TRP A  89
VAL A 131
None
None
None
PEG  A 201 (-3.7A)
None
1.42A9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
PHE  A 416 ( 1.3A)
PHE  A 405 ( 1.3A)
GLN  A 419 ( 0.6A)
ILE  A 420 ( 0.7A)
VAL  A 199 ( 0.6A)
1.48A21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4m6w FANCONI ANEMIA GROUP
M PROTEIN
(Homo
sapiens)		5 / 12PHE A1880
GLN A1883
ILE A1884
VAL A1863
VAL A1862
None
1.00A15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		4okh CALPAIN-3
(Homo
sapiens)		5 / 12PHE A 717
PHE A 654
ILE A 661
VAL A 681
VAL A 680
None
1.35A15.37
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5crj TRANSCRIPTION
TERMINATION FACTOR
1, MITOCHONDRIAL
(Homo
sapiens)		5 / 12SER O 292
PHE O 258
PHE O 263
ILE O 281
VAL O 320
None
1.48A19.04
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5eut PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA,ENDOLYSIN,PH
OSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens;
Escherichia
virus
T4)		5 / 12PHE A 416
PHE A 405
GLN A 419
ILE A 420
VAL A 199
None
1.44A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		5 / 12PHE A 570
PHE A 574
VAL A  35
TRP A  21
VAL A  36
None
1.34A22.04
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		5 / 12PHE M 281
PHE M 251
ILE M 296
HIS M 300
VAL M 277
None
1.34Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)		3 / 3VAL A 448
TYR A 545
GLU A 444
None
0.94A20.40
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		1sra SPARC
(Homo
sapiens)		3 / 3VAL A 159
TYR A 162
GLU A 190
None
0.99A21.58
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)		3 / 3VAL A 612
TYR A 480
GLU A 183
None
0.97A12.88
4.03
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT
(Homo
sapiens)		3 / 3VAL A 312
TYR A 307
GLU A 201
None
0.90A22.44
21.00
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		3fe4 CARBONIC ANHYDRASE 6
(Homo
sapiens)		3 / 3VAL A 232
TYR A 213
GLU A 136
None
0.95A21.22
12.93
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		3jxf RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA
(Homo
sapiens)		3 / 3VAL A 248
TYR A 229
GLU A 152
None
0.93A24.44
12.40
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens)		3 / 3VAL B1119
TYR B1120
GLU B1082
None
0.99A9.66
3.88
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		3ps5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 6
(Homo
sapiens)		3 / 3VAL A 332
TYR A 364
GLU A 329
None
0.89A14.96
7.84
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		4yfl 1B2530 HEAVY CHAIN
1B2530 LIGHT CHAIN
(Homo
sapiens;
Homo
sapiens)		3 / 3VAL H 181
TYR H 188
GLU L 160
None
0.93A21.55
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		3 / 3VAL A 514
TYR A 497
GLU A 519
None
0.99A18.48
7.02
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		5t9j FLAP ENDONUCLEASE
GEN HOMOLOG 1
(Homo
sapiens)		3 / 3VAL A 166
TYR A 167
GLU A 136
None
0.90A16.88
6.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6d6q EXOSOME COMPLEX
COMPONENT RRP40
(Homo
sapiens)		3 / 3VAL G 230
TYR G 164
GLU G 228
None
0.95Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1aa2 BETA-SPECTRIN
(Homo
sapiens)		3 / 3ALA A  39
VAL A  99
TYR A 102
None
0.60A24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1awb MYO-INOSITOL
MONOPHOSPHATASE
(Homo
sapiens)		3 / 3ALA A 224
VAL A 160
TYR A 211
None
0.70A19.85
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1ek6 UDP-GALACTOSE
4-EPIMERASE
(Homo
sapiens)		3 / 3ALA A 133
VAL A  94
TYR A 157
UPG  A 401 ( 3.7A)
None
UPG  A 401 ( 4.4A)
0.70A20.23
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1fta FRUCTOSE-1,6-BISPHOS
PHATASE
(Homo
sapiens)		3 / 3ALA A  47
VAL A 132
TYR A 167
None
0.72A21.36
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1g3m ESTROGEN
SULFOTRANSFERASE
(Homo
sapiens)		3 / 3ALA A 135
VAL A 175
TYR A  45
None
0.71A19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1q33 ADP-RIBOSE
PYROPHOSPHATASE
(Homo
sapiens)		3 / 3ALA A 278
VAL A 269
TYR A 268
None
BGC  A 400 (-4.5A)
None
0.68A20.85
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		1wyq SPECTRIN BETA CHAIN,
BRAIN 2
(Homo
sapiens)		3 / 3ALA A  43
VAL A 103
TYR A 106
None
0.61A22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2
(Homo
sapiens)		3 / 3ALA A  40
VAL A   9
TYR A  13
GOL  A3001 (-3.5A)
None
None
0.65A22.41
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2akz GAMMA ENOLASE
(Homo
sapiens)		3 / 3ALA A 174
VAL A 187
TYR A 235
None
0.69A20.19
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10
(Homo
sapiens)		3 / 3ALA A  91
VAL A  60
TYR A  64
AIZ  A 501 (-3.4A)
None
None
0.66A18.24
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2buj SERINE/THREONINE-PRO
TEIN KINASE 16
(Homo
sapiens)		3 / 3ALA A  82
VAL A  37
TYR A  46
None
0.70A18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)		3 / 3ALA A 256
VAL A 292
TYR A 326
None
0.58A16.64
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)		3 / 3ALA A  93
VAL A 171
TYR A 123
None
0.67A16.44
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2kn6 APOPTOSIS-ASSOCIATED
SPECK-LIKE PROTEIN
CONTAINING A CARD
(Homo
sapiens)		3 / 3ALA A 135
VAL A 149
TYR A 146
None
0.51A24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT
(Homo
sapiens)		3 / 3ALA A1645
VAL A1584
TYR A1583
None
0.71A20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2rnr TRANSCRIPTION
INITIATION FACTOR
IIE SUBUNIT ALPHA
(Homo
sapiens)		3 / 3ALA A 428
VAL A 408
TYR A 405
None
0.69A16.20
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)		3 / 3ALA A  40
VAL A   9
TYR A  13
ADP  A1303 (-3.5A)
None
None
0.58A20.85
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3ALA A  58
VAL A 124
TYR A 189
None
0.69A18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2xst LIPOCALIN 15
(Homo
sapiens)		3 / 3ALA A  20
VAL A 136
TYR A 123
None
0.70A21.86
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2yu4 E3 SUMO-PROTEIN
LIGASE NSE2
(Homo
sapiens)		3 / 3ALA A  49
VAL A  21
TYR A  30
None
0.68A18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		3 / 3ALA A 302
VAL A 189
TYR A 410
None
0.68A16.15
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3b97 ALPHA-ENOLASE
(Homo
sapiens)		3 / 3ALA A 174
VAL A 187
TYR A 235
None
0.69A19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE
(Homo
sapiens)		3 / 3ALA A 162
VAL A 174
TYR A  84
None
0.71A19.26
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3e7o MITOGEN-ACTIVATED
PROTEIN KINASE 9
(Homo
sapiens)		3 / 3ALA A  53
VAL A  22
TYR A  26
35F  A   1 (-3.6A)
None
None
0.70A17.24
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3eq1 PORPHOBILINOGEN
DEAMINASE
(Homo
sapiens)		3 / 3ALA A 219
VAL A 267
TYR A 213
None
0.65A19.34
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3g4e REGUCALCIN
(Homo
sapiens)		3 / 3ALA A  79
VAL A 107
TYR A 113
None
0.70A22.81