SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5aqa'

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.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 7 ASN A  45
THR A  49
GLY A  47
ASP A  77
 None
 0.94A 1bu5A-5aqaA:
undetectable		 1bu5A-5aqaA:
16.79
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 337
ILE A 210
ALA A 207
THR A 290
TYR A 392
 None
 1.01A 1cbsA-5aqaA:
undetectable		 1cbsA-5aqaA:
16.03
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		9 / 12 SER A 200
LYS A 203
TYR A 235
SER A 260
ASN A 262
LYS A 364
SER A 365
GLY A 366
ARG A 373
 None
 0.57A 1ghmA-5aqaA:
34.2		 1ghmA-5aqaA:
25.18
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
LYS A 364
GLY A 366
ALA A 367
 None
 0.42A 1i2wA-5aqaA:
37.0		 1i2wA-5aqaA:
27.83
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
GLY A 366
ALA A 367
ARG A 373
 None
 0.44A 1i2wB-5aqaA:
36.9		 1i2wB-5aqaA:
27.83
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.
1TT6_A_DESA129_1
(TRANSTHYRETIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 4 LYS A 322
LEU A 328
LEU A 329
SER A 333
 None
 1.49A 1tt6A-5aqaA:
undetectable		 1tt6A-5aqaA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 5aqa OFF7_DB04V3
(synthetic
construct) 		9 / 12 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.54A 1ymxA-5aqaA:
37.5		 1ymxA-5aqaA:
27.03
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 5aqa OFF7_DB04V3
(synthetic
construct) 		9 / 12 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.53A 1ymxB-5aqaA:
37.5		 1ymxB-5aqaA:
27.03
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 337
ILE A 210
ALA A 207
THR A 290
TYR A 392
 None
 1.05A 2fr3A-5aqaA:
undetectable		 2fr3A-5aqaA:
16.03
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.
2IDK_B_C2FB1420_0
(GLYCINE
N-METHYLTRANSFERASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 10 LEU A 323
SER A 365
LEU A 320
MET A 316
THR A 201
 None
 1.19A 2idkA-5aqaA:
0.0
2idkB-5aqaA:
0.0
2idkC-5aqaA:
0.0
2idkD-5aqaA:
0.1		 2idkA-5aqaA:
25.42
2idkB-5aqaA:
25.42
2idkC-5aqaA:
25.42
2idkD-5aqaA:
25.42
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.
2O4L_A_TPVA403_1
(PROTEASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 205
ASP A 344
ASP A 363
ILE A 375
GLY A 366
 None
 1.25A 2o4lA-5aqaA:
undetectable		 2o4lA-5aqaA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 5 LEU A 337
LEU A 324
LEU A 179
MET A 341
 None
 1.12A 2oaxF-5aqaA:
undetectable		 2oaxF-5aqaA:
20.90
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 9 PRO A 275
LEU A 292
LEU A 269
ALA A 265
PHE A 202
 None
 1.08A 2vcvD-5aqaA:
undetectable		 2vcvD-5aqaA:
21.13
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.
2YGO_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 6 LEU A 350
ILE A 407
MET A 400
VAL A 233
 None
 1.10A 2ygoA-5aqaA:
undetectable		 2ygoA-5aqaA:
15.75
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.
3EQM_A_ASDA601_1
(CYTOCHROME P450 19A1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 10 PHE A 281
ILE A 214
THR A 330
MET A 285
LEU A 323
 None
 1.09A 3eqmA-5aqaA:
undetectable		 3eqmA-5aqaA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.50A 3hlwA-5aqaA:
37.4		 3hlwA-5aqaA:
26.79
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.50A 3hlwB-5aqaA:
37.5		 3hlwB-5aqaA:
26.79
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 LYS A 203
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.38A 3huoA-5aqaA:
37.5		 3huoA-5aqaA:
26.79
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 LYS A 203
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.36A 3huoB-5aqaA:
37.7		 3huoB-5aqaA:
26.79
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.60A 3ny4A-5aqaA:
35.6		 3ny4A-5aqaA:
26.63
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.39A 3q07A-5aqaA:
37.5		 3q07A-5aqaA:
26.79
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.45A 3q07B-5aqaA:
37.5		 3q07B-5aqaA:
26.79
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 SER A 200
SER A 260
ASN A 262
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.40A 3sh8A-5aqaA:
35.6		 3sh8A-5aqaA:
26.29
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 SER A 200
TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
ARG A 373
 None
 1.22A 3sh8A-5aqaA:
35.6		 3sh8A-5aqaA:
26.29
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 SER A 200
LYS A 203
SER A 260
ASN A 262
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.41A 3sh8B-5aqaA:
35.4		 3sh8B-5aqaA:
26.29
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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 211
THR A 258
ILE A 257
ILE A 214
VAL A 238
 None
 1.26A 3vw1D-5aqaA:
undetectable		 3vw1D-5aqaA:
18.72
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.
4EJG_C_NCTC501_1
(CYTOCHROME P450 2A13)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 7 ASN A 262
ALA A 265
LEU A 292
LEU A 299
 None
 0.91A 4ejgC-5aqaA:
undetectable		 4ejgC-5aqaA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
 None
 0.43A 4euzA-5aqaA:
36.7		 4euzA-5aqaA:
29.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 10 SER A 260
ASN A 262
VAL A 346
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.61A 4fh2A-5aqaA:
42.7		 4fh2A-5aqaA:
42.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 10 TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
ARG A 373
 None
 1.39A 4fh2A-5aqaA:
42.7		 4fh2A-5aqaA:
42.65
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.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 ILE A 161
VAL A  96
ILE A 128
GLU A  97
GLU A  94
 None
 1.33A 4i41A-5aqaA:
undetectable		 4i41A-5aqaA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 SER A 200
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.41A 4n9kA-5aqaA:
37.2		 4n9kA-5aqaA:
26.42
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 SER A 200
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.46A 4n9kB-5aqaA:
37.1		 4n9kB-5aqaA:
26.42
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.
4OQR_A_2UOA502_1
(CYP105AS1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 9 PRO A 313
VAL A 174
ILE A 388
VAL A 376
ALA A 377
 None
 1.30A 4oqrA-5aqaA:
undetectable		 4oqrA-5aqaA:
25.20
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.
4P65_E_IPHE101_0
(INSULIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 11 ILE A  62
LEU A  51
HIS A  69
LEU A  67
ALA A  71
 None
 1.10A 4p65E-5aqaA:
undetectable
4p65F-5aqaA:
undetectable
4p65J-5aqaA:
undetectable
4p65L-5aqaA:
undetectable		 4p65E-5aqaA:
3.23
4p65F-5aqaA:
5.76
4p65J-5aqaA:
5.76
4p65L-5aqaA:
5.76
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.
4P65_I_IPHI101_0
(INSULIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 VAL A  30
LEU A  18
LEU A  51
ILE A  62
ALA A  71
 None
 0.98A 4p65B-5aqaA:
undetectable
4p65D-5aqaA:
undetectable
4p65I-5aqaA:
undetectable
4p65J-5aqaA:
undetectable		 4p65B-5aqaA:
5.76
4p65D-5aqaA:
5.76
4p65I-5aqaA:
3.23
4p65J-5aqaA:
5.76
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.
4P65_I_IPHI101_0
(INSULIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 VAL A  96
LEU A  84
LEU A 117
ILE A 128
ALA A 137
 None
 1.02A 4p65B-5aqaA:
undetectable
4p65D-5aqaA:
undetectable
4p65I-5aqaA:
undetectable
4p65J-5aqaA:
undetectable		 4p65B-5aqaA:
5.76
4p65D-5aqaA:
5.76
4p65I-5aqaA:
3.23
4p65J-5aqaA:
5.76
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.
4P65_K_IPHK101_0
(INSULIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A  51
VAL A  30
LEU A  18
ILE A  62
ALA A  71
 None
 1.03A 4p65F-5aqaA:
undetectable
4p65H-5aqaA:
undetectable
4p65K-5aqaA:
undetectable
4p65L-5aqaA:
undetectable		 4p65F-5aqaA:
5.76
4p65H-5aqaA:
5.76
4p65K-5aqaA:
3.23
4p65L-5aqaA:
5.76
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.
4PGH_B_SAMB401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 SER A 260
GLY A 374
LEU A 403
LYS A 364
ILE A 375
 None
 1.37A 4pghB-5aqaA:
undetectable		 4pghB-5aqaA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.74A 4pm5A-5aqaA:
37.5		 4pm5A-5aqaA:
26.79
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 12 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
GLY A 368
 None
 0.68A 4pm7A-5aqaA:
37.5		 4pm7A-5aqaA:
27.03
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 LYS A 203
TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
 None
 1.42A 4pm7A-5aqaA:
37.5		 4pm7A-5aqaA:
27.03
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
GLY A 368
 None
 0.39A 4pm9A-5aqaA:
37.7		 4pm9A-5aqaA:
27.03
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 260
ASN A 300
LYS A 364
GLY A 366
ALA A 367
GLY A 368
 None
 0.63A 4pm9A-5aqaA:
37.7		 4pm9A-5aqaA:
27.03
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.
4XUM_A_IMNA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 PHE A 281
ILE A 257
LEU A 323
LEU A 329
LEU A 211
 None
 1.29A 4xumA-5aqaA:
undetectable		 4xumA-5aqaA:
21.50
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 7 LEU A 323
GLY A 208
ALA A 209
SER A 212
 None
 0.85A 5f1aB-5aqaA:
undetectable		 5f1aB-5aqaA:
20.38
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		9 / 12 SER A 200
TYR A 235
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.52A 5ghyA-5aqaA:
36.9		 5ghyA-5aqaA:
26.42
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		9 / 12 SER A 200
TYR A 235
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.51A 5ghyB-5aqaA:
37.1		 5ghyB-5aqaA:
26.42
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		8 / 11 SER A 200
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.47A 5ghzA-5aqaA:
36.9		 5ghzA-5aqaA:
26.42
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 11 SER A 200
TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
ARG A 373
 None
 1.17A 5ghzA-5aqaA:
36.9		 5ghzA-5aqaA:
26.42
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 10 SER A 200
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ARG A 373
 None
 0.50A 5ghzB-5aqaA:
37.0		 5ghzB-5aqaA:
26.42
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 10 SER A 200
TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
ARG A 373
 None
 1.18A 5ghzB-5aqaA:
37.0		 5ghzB-5aqaA:
26.42
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.
5JKW_A_TESA601_1
(AROMATASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 11 PHE A 281
ILE A 214
THR A 330
MET A 285
LEU A 323
 None
 1.05A 5jkwA-5aqaA:
undetectable		 5jkwA-5aqaA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JL7_A_ASDA601_1
(AROMATASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 10 PHE A 281
ILE A 214
THR A 330
MET A 285
LEU A 323
 None
 1.07A 5jl7A-5aqaA:
undetectable		 5jl7A-5aqaA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		3 / 3 LYS A   7
HIS A   9
HIS A   8
 None
 1.21A 5oexA-5aqaA:
undetectable		 5oexA-5aqaA:
24.36
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.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		3 / 3 LYS A   7
HIS A   9
HIS A   8
 None
 1.25A 5oexB-5aqaA:
undetectable		 5oexB-5aqaA:
24.36
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.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		3 / 3 LYS A   7
HIS A   9
HIS A   8
 None
 1.21A 5oexC-5aqaA:
undetectable		 5oexC-5aqaA:
24.36
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.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		3 / 3 LYS A   7
HIS A   9
HIS A   8
 None
 1.18A 5oexD-5aqaA:
undetectable		 5oexD-5aqaA:
24.36
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 4 LEU A 267
LEU A 252
SER A 236
ALA A 255
 None
 1.14A 5uunA-5aqaA:
undetectable		 5uunA-5aqaA:
20.28
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 7 THR A 279
PHE A 202
ASP A 309
LEU A 299
 None
 1.18A 5uxcA-5aqaA:
undetectable		 5uxcA-5aqaA:
23.72
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 181
LEU A 324
LEU A 320
ALA A 362
GLU A 342
 None
None
None
None
SCN  A1422 (-4.3A)
 1.18A 5v0vA-5aqaA:
undetectable		 5v0vA-5aqaA:
21.48
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 8 PRO A 313
ALA A 377
TRP A 418
ALA A 163
 None
 0.89A 5x2tI-5aqaA:
undetectable
5x2tJ-5aqaA:
undetectable
5x2tK-5aqaA:
undetectable
5x2tL-5aqaA:
undetectable		 5x2tI-5aqaA:
17.23
5x2tJ-5aqaA:
18.62
5x2tK-5aqaA:
17.23
5x2tL-5aqaA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 6 LEU A 299
LYS A 203
LEU A 206
LEU A 269
 None
 0.98A 5yvnA-5aqaA:
undetectable		 5yvnA-5aqaA:
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		5 / 12 LEU A 351
VAL A 389
LEU A 337
MET A 316
LEU A 323
 None
 1.24A 6b54A-5aqaA:
undetectable		 6b54A-5aqaA:
19.58
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.52A 6b5yB-5aqaA:
35.7		 6b5yB-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.57A 6b5yD-5aqaA:
35.7		 6b5yD-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.38A 6b68B-5aqaA:
36.0		 6b68B-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.42A 6b68D-5aqaA:
35.8		 6b68D-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 SER A 200
SER A 260
PRO A 297
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.51A 6b69A-5aqaA:
35.9
6b69B-5aqaA:
35.9		 6b69A-5aqaA:
11.27
6b69B-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.33A 6b69D-5aqaA:
35.8		 6b69D-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.40A 6b6aB-5aqaA:
35.5		 6b6aB-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.36A 6b6aD-5aqaA:
35.5		 6b6aD-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		7 / 12 SER A 200
SER A 260
PRO A 297
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.68A 6b6cA-5aqaA:
35.4		 6b6cA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.44A 6b6eA-5aqaA:
35.5		 6b6eA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.48A 6b6fA-5aqaA:
35.1		 6b6fA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 200
SER A 260
PRO A 297
ASN A 300
GLY A 366
GLY A 368
 None
 0.65A 6b6fA-5aqaA:
35.1		 6b6fA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 5aqa OFF7_DB04V3
(synthetic
construct) 		6 / 12 SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.42A 6c79A-5aqaA:
37.4		 6c79A-5aqaA:
11.36
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.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		 5aqa OFF7_DB04V3
(synthetic
construct) 		4 / 4 ILE A  62
LEU A  51
HIS A  69
ALA A  71
 None
 1.02A 6ck2C-5aqaA:
undetectable
6ck2D-5aqaA:
undetectable		 6ck2C-5aqaA:
3.23
6ck2D-5aqaA:
5.60