SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5x49'

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.
1DZ9_A_CAMA503_0
(CYTOCHROME P450-CAM)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 LEU A 426
VAL A 340
THR A 262
ASP A 331
None
None
None
MN  A 602 ( 2.0A)
1.09A 1dz9A-5x49A:
undetectable
1dz9A-5x49A:
22.68
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.
1DZ9_A_CAMA503_0
(CYTOCHROME P450-CAM)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 THR A 449
LEU A 426
VAL A 340
THR A 262
MN  A 601 ( 3.8A)
None
None
None
1.16A 1dz9A-5x49A:
undetectable
1dz9A-5x49A:
22.68
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 7 ALA A 299
TYR A 300
SER A 263
ALA A 258
None
01B  A 604 (-3.5A)
None
None
1.07A 1k5qA-5x49A:
undetectable
1k5qB-5x49A:
undetectable
1k5qA-5x49A:
19.34
1k5qB-5x49A:
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.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 LEU A 426
VAL A 340
THR A 262
ASP A 331
None
None
None
MN  A 602 ( 2.0A)
1.01A 1o76B-5x49A:
undetectable
1o76B-5x49A:
22.68
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.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 THR A 449
LEU A 426
VAL A 340
THR A 262
MN  A 601 ( 3.8A)
None
None
None
1.10A 1o76B-5x49A:
undetectable
1o76B-5x49A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 6 PHE A 411
ASN A 408
ILE A 392
GLY A 393
None
0.82A 1oniA-5x49A:
undetectable
1oniB-5x49A:
undetectable
1oniA-5x49A:
16.01
1oniB-5x49A:
16.01
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 6 PHE A 411
ASN A 408
ILE A 392
GLY A 393
None
0.82A 1oniD-5x49A:
undetectable
1oniF-5x49A:
undetectable
1oniD-5x49A:
16.01
1oniF-5x49A:
16.01
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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 7 ILE A 392
GLY A 393
PHE A 411
ASN A 408
None
0.89A 1oniG-5x49A:
undetectable
1oniI-5x49A:
undetectable
1oniG-5x49A:
16.01
1oniI-5x49A:
16.01
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 7 SER A 489
ILE A 487
ILE A 450
ASP A 476
None
0.94A 1yc5A-5x49A:
undetectable
1yc5A-5x49A:
20.00
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.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 ASP A 131
ASP A 217
ASN A 102
None
0.84A 2bm9D-5x49A:
undetectable
2bm9D-5x49A:
20.88
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 SER A 101
ASP A 131
SER A 132
GLN A 128
None
1.09A 2cmlD-5x49A:
undetectable
2cmlD-5x49A:
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 PRO A 103
ALA A 212
ASP A 131
ASP A 157
None
1.17A 2nyuB-5x49A:
undetectable
2nyuB-5x49A:
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.
3BWY_A_SAMA301_0
(COMT PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
1.40A 3bwyA-5x49A:
undetectable
3bwyA-5x49A:
19.01
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 ASP A 118
ILE A 240
VAL A  97
THR A 223
None
0.86A 3eigA-5x49A:
undetectable
3eigA-5x49A:
17.41
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 9 TYR A 183
THR A 184
GLY A 169
ALA A 173
THR A 177
None
1.37A 3jusB-5x49A:
undetectable
3jusB-5x49A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 SER A 263
THR A 262
ILE A 474
LEU A 372
LEU A 488
None
1.00A 3lcvB-5x49A:
undetectable
3lcvB-5x49A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 8 ASP A 477
PHE A 266
CYH A 290
LEU A 298
None
0.93A 3m0wE-5x49A:
undetectable
3m0wF-5x49A:
undetectable
3m0wG-5x49A:
undetectable
3m0wH-5x49A:
undetectable
3m0wE-5x49A:
13.77
3m0wF-5x49A:
13.77
3m0wG-5x49A:
13.77
3m0wH-5x49A:
13.77
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.
3RLB_A_VIBA191_1
(THIT)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 10 GLU A 451
TYR A 300
HIS A 424
GLY A 427
VAL A 447
MN  A 601 ( 2.5A)
01B  A 604 (-3.5A)
MN  A 601 ( 3.4A)
None
None
1.28A 3rlbA-5x49A:
0.0
3rlbA-5x49A:
17.80
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.
3RLB_B_VIBB187_1
(THIT)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 GLU A 451
TYR A 300
HIS A 424
GLY A 427
VAL A 447
MN  A 601 ( 2.5A)
01B  A 604 (-3.5A)
MN  A 601 ( 3.4A)
None
None
1.26A 3rlbB-5x49A:
undetectable
3rlbB-5x49A:
17.80
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 11 ASP A 477
SER A 489
THR A 262
GLY A 333
ASP A 342
None
None
None
None
MN  A 602 (-2.6A)
1.32A 3sfuC-5x49A:
undetectable
3sfuC-5x49A:
20.36
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.
3U9F_B_CLMB221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 PHE A 115
SER A 168
LEU A 151
VAL A 153
CYH A 125
None
1.27A 3u9fB-5x49A:
undetectable
3u9fC-5x49A:
undetectable
3u9fB-5x49A:
16.92
3u9fC-5x49A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 PHE A 115
SER A 168
LEU A 151
VAL A 153
CYH A 125
None
1.22A 3u9fH-5x49A:
undetectable
3u9fI-5x49A:
undetectable
3u9fH-5x49A:
16.92
3u9fI-5x49A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 PHE A 115
SER A 168
LEU A 151
VAL A 153
CYH A 125
None
1.21A 3u9fJ-5x49A:
undetectable
3u9fK-5x49A:
undetectable
3u9fJ-5x49A:
16.92
3u9fK-5x49A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 LYS A 226
LEU A 222
ALA A 225
None
0.82A 4iizA-5x49A:
undetectable
4iizA-5x49A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
6 / 12 GLY A 307
TYR A 455
ASN A 311
THR A 346
GLY A 306
ALA A 305
None
1.22A 4pm7A-5x49A:
undetectable
4pm7A-5x49A:
20.82
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
6 / 12 GLY A 307
TYR A 455
ASN A 311
THR A 346
GLY A 306
ALA A 305
None
1.24A 4pm9A-5x49A:
undetectable
4pm9A-5x49A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 7 ALA A 265
GLY A 294
ALA A 295
SER A 341
None
0.73A 4r1zB-5x49A:
undetectable
4r1zB-5x49A:
23.45
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.
4WAN_C_ACTC303_0
(BRANCHPOINT-BRIDGING
PROTEIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 ASP A 296
ARG A 254
PRO A  65
None
0.93A 4wanC-5x49A:
undetectable
4wanC-5x49A:
14.73
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
1.44A 4xucA-5x49A:
undetectable
4xucA-5x49A:
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
1.45A 4xudA-5x49A:
undetectable
4xudA-5x49A:
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.
4YGF_C_AZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 11 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
None
1.41A 4ygfC-5x49A:
undetectable
4ygfC-5x49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
None
1.43A 4ygfE-5x49A:
undetectable
4ygfE-5x49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_F_AZMF303_1
(ALPHA-CARBONIC
ANHYDRASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 9 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
None
1.47A 4ygfF-5x49A:
undetectable
4ygfF-5x49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_C_MZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 11 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
None
1.45A 4yhaC-5x49A:
undetectable
4yhaC-5x49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_G_MZMG303_1
(ALPHA-CARBONIC
ANHYDRASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 ASN A 318
VAL A 304
VAL A 328
THR A 269
TRP A 347
None
1.43A 4yhaG-5x49A:
undetectable
4yhaG-5x49A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YIA_B_IMNB401_2
(THYROXINE-BINDING
GLOBULIN)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 LEU A 122
ARG A 244
ARG A  75
None
0.90A 4yiaB-5x49A:
undetectable
4yiaB-5x49A:
5.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 LEU A 389
GLY A 453
LEU A 396
ALA A 413
ASN A 408
None
1.08A 5kc4E-5x49A:
undetectable
5kc4E-5x49A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSA_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
1.40A 5lsaA-5x49A:
undetectable
5lsaA-5x49A:
19.82
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.
5QGK_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 VAL A 472
TYR A 361
GLN A 357
None
0.76A 5qgkA-5x49A:
undetectable
5qgkA-5x49A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGR_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 VAL A 472
TYR A 361
GLN A 357
None
0.71A 5qgrA-5x49A:
undetectable
5qgrA-5x49A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 VAL A 472
TYR A 361
GLN A 357
None
0.70A 5qgtA-5x49A:
undetectable
5qgtA-5x49A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 VAL A 303
HIS A 431
LEU A 313
ASP A 342
None
01B  A 604 (-4.0A)
DMS  A 605 (-4.2A)
MN  A 602 (-2.6A)
1.29A 5vcvA-5x49A:
undetectable
5vcvA-5x49A:
22.69
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.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 TYR A 339
ARG A 254
MET A 255
LEU A 488
None
1.26A 5w97J-5x49A:
undetectable
5w97J-5x49A:
10.79
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 TYR A 339
ARG A 254
MET A 255
LEU A 488
None
1.38A 5x19J-5x49A:
undetectable
5x19J-5x49A:
10.79
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 TYR A 339
ARG A 254
MET A 255
LEU A 488
None
1.37A 5x1bJ-5x49A:
undetectable
5x1bJ-5x49A:
10.79
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 TYR A 339
ARG A 254
MET A 255
LEU A 488
None
1.22A 5x1fW-5x49A:
undetectable
5x1fW-5x49A:
10.79
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.
6A93_B_8NUB3001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 ILE A 343
PHE A 266
ASN A 319
TYR A 283
None
1.15A 6a93B-5x49A:
undetectable
6a93B-5x49A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
3 / 3 GLY A 332
THR A 344
GLU A 475
None
MN  A 602 (-4.8A)
MN  A 602 (-2.4A)
0.61A 6b58A-5x49A:
undetectable
6b58A-5x49A:
21.70
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.
6DH0_A_017A101_1
(PROTEASE)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
5 / 12 GLY A 172
ALA A 173
LEU A 134
PRO A 130
VAL A 153
None
0.96A 6dh0B-5x49A:
undetectable
6dh0B-5x49A:
10.80
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.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo
sapiens)
4 / 5 TYR A 339
ARG A 254
MET A 255
LEU A 488
None
1.21A 6nknJ-5x49A:
undetectable
6nknJ-5x49A:
10.79