SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG2_W_CHDW1059_0

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1b5l INTERFERON TAU

(Komagataella
pastoris) 		PF00143
(Interferon) 		4 ILE A 127
LEU A  67
PHE A 124
THR A 153
 None
 1.04A 3ag2N-1b5lA:
2.6
3ag2W-1b5lA:
0.0		 3ag2N-1b5lA:
15.18
3ag2W-1b5lA:
16.88
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.
1d1j PROFILIN II

(Homo sapiens) 		PF00235
(Profilin) 		4 PHE A  58
ARG A  74
MET A  85
THR A  84
 None
 0.87A 3ag2N-1d1jA:
undetectable
3ag2W-1d1jA:
undetectable		 3ag2N-1d1jA:
15.87
3ag2W-1d1jA:
16.55
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.
1hu8 CELLULAR TUMOR
ANTIGEN P53

(Mus musculus) 		PF00870
(P53) 		4 ILE A 252
PHE A 267
TYR A 233
THR A 137
 None
 1.03A 3ag2N-1hu8A:
undetectable
3ag2W-1hu8A:
0.0		 3ag2N-1hu8A:
15.26
3ag2W-1hu8A:
15.98
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ILE A 149
LEU A 237
MET A 227
THR A 226
 None
 1.02A 3ag2N-1iq0A:
0.2
3ag2W-1iq0A:
0.0		 3ag2N-1iq0A:
22.20
3ag2W-1iq0A:
8.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		4 ILE A 141
PHE A  86
ARG A 170
THR A 166
 REO  A 407 (-4.6A)
None
None
None
 1.00A 3ag2N-1k4jA:
0.0
3ag2W-1k4jA:
0.0		 3ag2N-1k4jA:
18.26
3ag2W-1k4jA:
17.07
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.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		4 LEU A 122
PHE A 123
ARG A 152
MET A 146
 None
None
None
REO  A 403 (-3.6A)
 1.05A 3ag2N-1k4jA:
0.0
3ag2W-1k4jA:
0.0		 3ag2N-1k4jA:
18.26
3ag2W-1k4jA:
17.07
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ILE A 294
PHE A 198
MET A 188
THR A 187
 None
 1.02A 3ag2N-1kywA:
0.0
3ag2W-1kywA:
0.0		 3ag2N-1kywA:
22.20
3ag2W-1kywA:
10.16
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		4 ILE A 264
LEU A 267
PHE A 268
THR A  32
 None
 1.05A 3ag2N-1luaA:
0.0
3ag2W-1luaA:
0.0		 3ag2N-1luaA:
19.12
3ag2W-1luaA:
11.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1j FIBRINOGEN GAMMA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE C 290
ARG C 247
MET C 384
THR C 383
 None
 1.00A 3ag2N-1m1jC:
undetectable
3ag2W-1m1jC:
2.8		 3ag2N-1m1jC:
19.62
3ag2W-1m1jC:
8.64
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.
1mc8 FLAP ENDONUCLEASE-1

(Pyrococcus
horikoshii) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ILE A   5
LEU A   8
ARG A 223
THR A 222
 None
 1.00A 3ag2N-1mc8A:
0.0
3ag2W-1mc8A:
0.0		 3ag2N-1mc8A:
20.59
3ag2W-1mc8A:
10.20
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.
1mow CHIMERA OF HOMING
ENDONUCLEASE I-DMOI
AND DNA ENDONUCLEASE
I-CREI

(Desulfurococcus
mucosus;
Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1)
PF14528
(LAGLIDADG_3) 		4 ILE A  18
PHE A  91
ARG A  55
MET A  56
 None
None
SO4  A 271 (-3.1A)
None
 0.98A 3ag2N-1mowA:
0.2
3ag2W-1mowA:
undetectable		 3ag2N-1mowA:
18.60
3ag2W-1mowA:
11.72
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.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 335
LEU A 339
TYR A 310
ARG A 328
THR A 312
 None
None
None
HG  A 614 ( 4.9A)
None
 1.27A 3ag2N-1pm2A:
0.8
3ag2W-1pm2A:
undetectable		 3ag2N-1pm2A:
19.19
3ag2W-1pm2A:
11.21
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ILE A 385
LEU A 440
MET A 457
THR A 456
 None
 0.94A 3ag2N-1pvdA:
undetectable
3ag2W-1pvdA:
undetectable		 3ag2N-1pvdA:
21.98
3ag2W-1pvdA:
7.90
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.
1tmx HYDROXYQUINOL
1,2-DIOXYGENASE

(Pimelobacter
simplex) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 ILE A 238
LEU A 222
PHE A 224
TYR A 187
 None
 1.02A 3ag2N-1tmxA:
2.6
3ag2W-1tmxA:
undetectable		 3ag2N-1tmxA:
20.53
3ag2W-1tmxA:
11.92
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.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 1.03A 3ag2N-1wvrA:
undetectable
3ag2W-1wvrA:
undetectable		 3ag2N-1wvrA:
15.85
3ag2W-1wvrA:
14.35
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.
2atc ASPARTATE
CARBAMOYLTRANSFERASE
, CATALYTIC CHAIN
ASPARTATE
CARBAMOYLTRANSFERASE
, REGULATORY CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N)
PF01948
(PyrI)
PF02748
(PyrI_C) 		4 ILE B 115
LEU A 114
ARG A 105
MET A 104
 None
 1.02A 3ag2N-2atcB:
undetectable
3ag2W-2atcB:
undetectable		 3ag2N-2atcB:
13.32
3ag2W-2atcB:
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.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
CATALYTIC CHAIN
ASPARTATE
CARBAMOYLTRANSFERASE
REGULATORY CHAIN

(Moritella
profunda;
Moritella
profunda) 		PF00185
(OTCace)
PF02729
(OTCace_N)
PF01948
(PyrI)
PF02748
(PyrI_C) 		4 ILE D 114
LEU A 115
ARG A 106
MET A 105
 None
 0.98A 3ag2N-2be7D:
undetectable
3ag2W-2be7D:
undetectable		 3ag2N-2be7D:
17.43
3ag2W-2be7D:
16.28
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 TYR B 618
ARG B 619
MET B 622
THR B 623
 None
 0.87A 3ag2N-2c6wB:
undetectable
3ag2W-2c6wB:
undetectable		 3ag2N-2c6wB:
21.23
3ag2W-2c6wB:
8.29
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.
2cph RNA BINDING MOTIF
PROTEIN 19

(Mus musculus) 		PF00076
(RRM_1) 		4 ILE A 478
LEU A 481
PHE A 482
ARG A 467
 None
 0.96A 3ag2N-2cphA:
undetectable
3ag2W-2cphA:
undetectable		 3ag2N-2cphA:
12.76
3ag2W-2cphA:
24.30
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.
2dx5 VACUOLAR PROTEIN
SORTING PROTEIN 36

(Mus musculus) 		PF11605
(Vps36_ESCRT-II) 		4 ILE A  82
LEU A 108
PHE A 110
ARG A 121
 None
 1.04A 3ag2N-2dx5A:
undetectable
3ag2W-2dx5A:
undetectable		 3ag2N-2dx5A:
12.45
3ag2W-2dx5A:
16.18
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.
2eb1 ENDORIBONUCLEASE
DICER

(Homo sapiens) 		PF00636
(Ribonuclease_3) 		4 ILE A  86
LEU A  90
PHE A  87
ARG A  78
 None
 1.06A 3ag2N-2eb1A:
undetectable
3ag2W-2eb1A:
undetectable		 3ag2N-2eb1A:
16.17
3ag2W-2eb1A:
15.03
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.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		4 ILE A 373
LEU A 223
PHE A 225
THR A 201
 None
 0.94A 3ag2N-2efjA:
1.8
3ag2W-2efjA:
undetectable		 3ag2N-2efjA:
22.83
3ag2W-2efjA:
9.21
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.
2fdr CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF13419
(HAD_2) 		4 ILE A   7
PHE A   9
ARG A  98
MET A 212
 None
 1.02A 3ag2N-2fdrA:
undetectable
3ag2W-2fdrA:
undetectable		 3ag2N-2fdrA:
19.18
3ag2W-2fdrA:
11.95
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.
2hcz BETA-EXPANSIN 1A

(Zea mays) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		4 ILE X 148
PHE X 150
ARG X 213
MET X 177
 None
 1.06A 3ag2N-2hczX:
undetectable
3ag2W-2hczX:
undetectable		 3ag2N-2hczX:
17.97
3ag2W-2hczX:
17.28
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.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF03480
(DctP) 		4 ILE A 243
PHE A 245
MET A 132
THR A 131
 None
 0.92A 3ag2N-2hpgA:
undetectable
3ag2W-2hpgA:
undetectable		 3ag2N-2hpgA:
19.92
3ag2W-2hpgA:
10.53
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		4 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 0.99A 3ag2N-2ibnA:
undetectable
3ag2W-2ibnA:
undetectable		 3ag2N-2ibnA:
17.97
3ag2W-2ibnA:
11.20
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.
2klt SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 LEU A 589
PHE A 587
ARG A 574
MET A 521
 None
 0.97A 3ag2N-2kltA:
undetectable
3ag2W-2kltA:
undetectable		 3ag2N-2kltA:
13.58
3ag2W-2kltA:
14.29
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.
2knh PROTEIN CBFA2T1

(Homo sapiens) 		PF07531
(TAFH) 		4 LEU A 333
PHE A 332
ARG A 276
THR A 279
 None
 0.91A 3ag2N-2knhA:
undetectable
3ag2W-2knhA:
undetectable		 3ag2N-2knhA:
11.32
3ag2W-2knhA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 ILE A 250
PHE A 192
ARG A 272
THR A 275
 None
 0.93A 3ag2N-2q7sA:
undetectable
3ag2W-2q7sA:
undetectable		 3ag2N-2q7sA:
19.19
3ag2W-2q7sA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri0 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Streptococcus
mutans) 		PF01182
(Glucosamine_iso) 		4 ILE A  46
LEU A  51
MET A  56
THR A  30
 None
 1.02A 3ag2N-2ri0A:
undetectable
3ag2W-2ri0A:
undetectable		 3ag2N-2ri0A:
17.89
3ag2W-2ri0A:
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.
2v3m NAF1

(Saccharomyces
cerevisiae) 		PF04410
(Gar1) 		4 ILE A 153
LEU A 143
ARG A 162
THR A 138
 None
 1.02A 3ag2N-2v3mA:
undetectable
3ag2W-2v3mA:
undetectable		 3ag2N-2v3mA:
12.45
3ag2W-2v3mA:
23.91
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.
2v6e PROTELEMORASE

(Klebsiella
phage phiKO2) 		PF16684
(Telomere_res) 		4 ILE A 279
LEU A 268
ARG A 310
THR A 294
 None
 1.00A 3ag2N-2v6eA:
undetectable
3ag2W-2v6eA:
undetectable		 3ag2N-2v6eA:
19.87
3ag2W-2v6eA:
9.98
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 363
LEU A 342
PHE A 341
ARG A 409
 None
 1.04A 3ag2N-2v7bA:
undetectable
3ag2W-2v7bA:
undetectable		 3ag2N-2v7bA:
21.98
3ag2W-2v7bA:
8.35
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.
2vk4 PYRUVATE
DECARBOXYLASE

(Kluyveromyces
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ILE A 385
LEU A 440
MET A 457
THR A 456
 None
 0.95A 3ag2N-2vk4A:
undetectable
3ag2W-2vk4A:
undetectable		 3ag2N-2vk4A:
22.83
3ag2W-2vk4A:
7.59
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.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ILE A 139
PHE A 401
ARG A 374
THR A 369
 None
 1.05A 3ag2N-2wgyA:
undetectable
3ag2W-2wgyA:
undetectable		 3ag2N-2wgyA:
22.20
3ag2W-2wgyA:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		4 PHE I  60
ARG I  69
MET I  71
THR I  72
 None
 1.00A 3ag2N-2wvwI:
undetectable
3ag2W-2wvwI:
undetectable		 3ag2N-2wvwI:
13.93
3ag2W-2wvwI:
15.89
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ILE A 614
LEU A 646
PHE A 612
THR A 753
 None
 1.01A 3ag2N-2wyhA:
2.1
3ag2W-2wyhA:
undetectable		 3ag2N-2wyhA:
20.26
3ag2W-2wyhA:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		4 TYR J  32
ARG J  33
MET J  36
THR J  37
 None
 0.73A 3ag2N-2y69J:
undetectable
3ag2W-2y69J:
7.9		 3ag2N-2y69J:
10.31
3ag2W-2y69J:
100.00
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		4 ILE A 242
PHE A 277
MET A 335
THR A 336
 None
 1.01A 3ag2N-2yrfA:
undetectable
3ag2W-2yrfA:
undetectable		 3ag2N-2yrfA:
20.95
3ag2W-2yrfA:
11.53
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.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Bacillus
subtilis) 		PF01008
(IF-2B) 		4 ILE A 343
LEU A 346
PHE A 347
ARG A 241
 None
 1.05A 3ag2N-2yrfA:
undetectable
3ag2W-2yrfA:
undetectable		 3ag2N-2yrfA:
20.95
3ag2W-2yrfA:
11.53
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		4 ILE A  11
LEU A  30
TYR A  90
THR A  95
 None
 0.95A 3ag2N-2yxeA:
2.5
3ag2W-2yxeA:
undetectable		 3ag2N-2yxeA:
17.67
3ag2W-2yxeA:
14.76
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ILE A 193
LEU A  97
PHE A 196
MET A 184
 None
 0.77A 3ag2N-2ze0A:
undetectable
3ag2W-2ze0A:
undetectable		 3ag2N-2ze0A:
19.59
3ag2W-2ze0A:
7.38
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.
3anw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
kodakarensis) 		no annotation 4 ILE A 141
LEU A 145
PHE A 159
THR A 169
 None
 1.05A 3ag2N-3anwA:
undetectable
3ag2W-3anwA:
undetectable		 3ag2N-3anwA:
16.15
3ag2W-3anwA:
12.77
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.
3bvh FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		4 PHE C 290
ARG C 247
MET C 384
THR C 383
 None
 1.03A 3ag2N-3bvhC:
undetectable
3ag2W-3bvhC:
undetectable		 3ag2N-3bvhC:
20.17
3ag2W-3bvhC:
11.79
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 LEU A  30
PHE A  32
TYR A 255
THR A 271
 None
 0.77A 3ag2N-3dcpA:
undetectable
3ag2W-3dcpA:
undetectable		 3ag2N-3dcpA:
19.37
3ag2W-3dcpA:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		4 PHE A 255
TYR A 347
MET A 351
THR A 352
 None
 0.91A 3ag2N-3e0sA:
1.1
3ag2W-3e0sA:
undetectable		 3ag2N-3e0sA:
19.13
3ag2W-3e0sA:
10.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ezx MONOMETHYLAMINE
CORRINOID PROTEIN 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		4 ILE A  40
LEU A  37
ARG A 111
THR A 114
 None
 1.02A 3ag2N-3ezxA:
undetectable
3ag2W-3ezxA:
undetectable		 3ag2N-3ezxA:
18.16
3ag2W-3ezxA:
14.35
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ILE A 875
LEU A 993
PHE A 994
ARG A 825
 None
 1.03A 3ag2N-3f2bA:
2.1
3ag2W-3f2bA:
undetectable		 3ag2N-3f2bA:
20.21
3ag2W-3f2bA:
4.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		4 ILE A  66
LEU A  37
PHE A  68
THR A 262
 None
 0.90A 3ag2N-3ix1A:
undetectable
3ag2W-3ix1A:
undetectable		 3ag2N-3ix1A:
19.80
3ag2W-3ix1A:
12.36
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ILE A 104
LEU A  99
ARG A  83
THR A  86
 None
 1.04A 3ag2N-3l2nA:
undetectable
3ag2W-3l2nA:
undetectable		 3ag2N-3l2nA:
21.32
3ag2W-3l2nA:
9.44
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.
3lrk ALPHA-GALACTOSIDASE
1

(Saccharomyces
cerevisiae) 		PF16499
(Melibiase_2) 		4 ILE A  69
LEU A 103
PHE A 108
ARG A  55
 None
 0.98A 3ag2N-3lrkA:
undetectable
3ag2W-3lrkA:
undetectable		 3ag2N-3lrkA:
20.99
3ag2W-3lrkA:
8.58
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.
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 922
PHE A 944
MET A 884
THR A 885
 None
 1.03A 3ag2N-3lzbA:
undetectable
3ag2W-3lzbA:
undetectable		 3ag2N-3lzbA:
17.73
3ag2W-3lzbA:
12.73
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.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		4 ILE A  70
LEU A  65
PHE A  66
THR A 141
 None
 0.92A 3ag2N-3ni8A:
undetectable
3ag2W-3ni8A:
undetectable		 3ag2N-3ni8A:
13.13
3ag2W-3ni8A:
18.84
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.
3olm E3 UBIQUITIN-PROTEIN
LIGASE RSP5

(Saccharomyces
cerevisiae) 		PF00397
(WW)
PF00632
(HECT) 		4 ILE A 464
PHE A 488
ARG A 560
THR A 740
 None
 1.04A 3ag2N-3olmA:
undetectable
3ag2W-3olmA:
undetectable		 3ag2N-3olmA:
20.60
3ag2W-3olmA:
10.16
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.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 954
PHE A 976
MET A 916
THR A 917
 None
 0.99A 3ag2N-3pp0A:
undetectable
3ag2W-3pp0A:
undetectable		 3ag2N-3pp0A:
19.81
3ag2W-3pp0A:
12.62
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.
3t5b PROBABLE
CHAIN-FATTY-ACID-COA
LIGASE FADD13

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 ILE A  84
LEU A  60
ARG A  56
THR A 127
 None
 1.05A 3ag2N-3t5bA:
undetectable
3ag2W-3t5bA:
undetectable		 3ag2N-3t5bA:
22.16
3ag2W-3t5bA:
9.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4biz SENSOR PROTEIN CPXA

(Escherichia
coli) 		PF00512
(HisKA)
PF00672
(HAMP)
PF02518
(HATPase_c) 		4 ILE A 399
LEU A 421
PHE A 400
THR A 383
 ADP  A 501 (-4.4A)
ADP  A 501 (-3.8A)
None
None
 0.90A 3ag2N-4bizA:
3.0
3ag2W-4bizA:
undetectable		 3ag2N-4bizA:
17.40
3ag2W-4bizA:
10.77
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.
4fi9 SUN
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF07738
(Sad1_UNC) 		4 ILE A 648
LEU A 662
PHE A 679
ARG A 710
 None
 0.95A 3ag2N-4fi9A:
undetectable
3ag2W-4fi9A:
undetectable		 3ag2N-4fi9A:
17.12
3ag2W-4fi9A:
16.15
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A3361
LEU A3395
PHE A3446
ARG A3345
 None
 0.99A 3ag2N-4kc5A:
undetectable
3ag2W-4kc5A:
undetectable		 3ag2N-4kc5A:
19.34
3ag2W-4kc5A:
4.95
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.
4kdx GLUTATHIONE
S-TRANSFERASE DOMAIN

(Paraburkholderia
graminis) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 ILE A 169
LEU A 173
TYR A 198
ARG A 195
 None
 1.01A 3ag2N-4kdxA:
undetectable
3ag2W-4kdxA:
undetectable		 3ag2N-4kdxA:
17.55
3ag2W-4kdxA:
12.22
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.
4lj2 CHORISMATE SYNTHASE

(Acinetobacter
baumannii) 		PF01264
(Chorismate_synt) 		4 ILE A 140
PHE A  10
ARG A 134
THR A  14
 None
 1.03A 3ag2N-4lj2A:
undetectable
3ag2W-4lj2A:
undetectable		 3ag2N-4lj2A:
21.71
3ag2W-4lj2A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1a HYPOTHETICAL PROTEIN

(Sebaldella
termitidis) 		PF08921
(DUF1904) 		4 ILE A  73
PHE A  77
ARG A   5
THR A  37
 None
 0.91A 3ag2N-4m1aA:
undetectable
3ag2W-4m1aA:
undetectable		 3ag2N-4m1aA:
12.03
3ag2W-4m1aA:
20.16
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.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		4 ILE A 272
LEU A 326
PHE A 325
THR A 303
 None
 0.94A 3ag2N-4o5pA:
0.6
3ag2W-4o5pA:
undetectable		 3ag2N-4o5pA:
19.53
3ag2W-4o5pA:
5.27
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.
4pbv NT-3 GROWTH FACTOR
RECEPTOR

(Gallus gallus) 		PF00047
(ig)
PF13855
(LRR_8)
PF16920
(TPKR_C2) 		4 LEU A 146
PHE A 147
ARG A 156
THR A 109
 None
 0.98A 3ag2N-4pbvA:
undetectable
3ag2W-4pbvA:
undetectable		 3ag2N-4pbvA:
18.97
3ag2W-4pbvA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ILE A 523
LEU A 520
ARG A 493
THR A 425
 None
 0.98A 3ag2N-4pl0A:
3.3
3ag2W-4pl0A:
undetectable		 3ag2N-4pl0A:
21.25
3ag2W-4pl0A:
6.21
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 ILE A 499
PHE A 459
ARG A 511
THR A 509
 None
 0.98A 3ag2N-4qawA:
undetectable
3ag2W-4qawA:
undetectable		 3ag2N-4qawA:
23.40
3ag2W-4qawA:
7.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ILE A 338
LEU A 610
PHE A 607
THR A 565
 None
None
None
SO4  A 917 (-4.1A)
 1.03A 3ag2N-4qmeA:
2.3
3ag2W-4qmeA:
undetectable		 3ag2N-4qmeA:
19.71
3ag2W-4qmeA:
5.65
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.
4qyb UNCHARACTERIZED
PROTEIN

(Burkholderia
cenocepacia) 		PF10765
(DUF2591) 		4 ILE A  56
LEU A  60
PHE A  62
ARG A 104
 None
 0.94A 3ag2N-4qybA:
undetectable
3ag2W-4qybA:
undetectable		 3ag2N-4qybA:
14.50
3ag2W-4qybA:
17.21
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ILE A 338
ARG A 307
MET A  40
THR A  39
 None
GLA  A 503 (-2.8A)
None
GLA  A 502 ( 3.8A)
 0.83A 3ag2N-4rk9A:
undetectable
3ag2W-4rk9A:
undetectable		 3ag2N-4rk9A:
21.64
3ag2W-4rk9A:
7.35
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		4 ILE A 110
LEU A 266
PHE A 267
THR A 286
 None
 0.90A 3ag2N-4w1wA:
undetectable
3ag2W-4w1wA:
undetectable		 3ag2N-4w1wA:
22.73
3ag2W-4w1wA:
7.23
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		4 ILE D 143
LEU D 178
TYR D 250
THR D  24
 None
 0.97A 3ag2N-4xgcD:
undetectable
3ag2W-4xgcD:
undetectable		 3ag2N-4xgcD:
21.64
3ag2W-4xgcD:
9.59
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.
4yom SERINE/THREONINE-PRO
TEIN KINASE BRSK2

(Mus musculus) 		no annotation 4 ILE A 551
PHE A 555
ARG A 572
THR A 614
 None
 1.04A 3ag2N-4yomA:
undetectable
3ag2W-4yomA:
undetectable		 3ag2N-4yomA:
13.44
3ag2W-4yomA:
21.58
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.
4zk3 SERPIN B3

(Homo sapiens) 		PF00079
(Serpin) 		4 ILE A 307
LEU A 325
PHE A 308
THR A  35
 None
 0.96A 3ag2N-4zk3A:
undetectable
3ag2W-4zk3A:
undetectable		 3ag2N-4zk3A:
20.65
3ag2W-4zk3A:
9.21
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.
4zu9 ELONGATION FACTOR
SELB

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF09107
(SelB-wing_3) 		4 ILE A 164
LEU A  57
PHE A  50
THR A  22
 None
 0.93A 3ag2N-4zu9A:
undetectable
3ag2W-4zu9A:
undetectable		 3ag2N-4zu9A:
20.62
3ag2W-4zu9A:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5k IZUMO SPERM-EGG
FUSION PROTEIN 1

(Mus musculus) 		PF15005
(IZUMO)
PF16706
(Izumo-Ig) 		4 ILE A  97
LEU A 111
PHE A 107
THR A  39
 None
 1.05A 3ag2N-5b5kA:
2.3
3ag2W-5b5kA:
undetectable		 3ag2N-5b5kA:
17.82
3ag2W-5b5kA:
16.22
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.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 4 ILE A  42
PHE A  39
MET A 233
THR A 234
 None
 1.03A 3ag2N-5bykA:
undetectable
3ag2W-5bykA:
undetectable		 3ag2N-5bykA:
18.80
3ag2W-5bykA:
14.16
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 ILE A 388
PHE A 387
ARG A 454
THR A 333
 None
 0.98A 3ag2N-5c65A:
undetectable
3ag2W-5c65A:
undetectable		 3ag2N-5c65A:
24.43
3ag2W-5c65A:
9.59
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.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		4 ILE A 225
LEU A 341
ARG A 345
THR A   9
 None
 0.91A 3ag2N-5ce0A:
undetectable
3ag2W-5ce0A:
undetectable		 3ag2N-5ce0A:
20.49
3ag2W-5ce0A:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 ILE A 297
PHE A 201
MET A 191
THR A 190
 None
 0.99A 3ag2N-5cvvA:
undetectable
3ag2W-5cvvA:
undetectable		 3ag2N-5cvvA:
21.65
3ag2W-5cvvA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		4 ILE A 499
LEU A 509
PHE A 474
THR A 385
 None
None
None
SO4  A 604 (-4.0A)
 1.01A 3ag2N-5dfmA:
undetectable
3ag2W-5dfmA:
undetectable		 3ag2N-5dfmA:
21.09
3ag2W-5dfmA:
6.93
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.
5ed8 MKIAA0668 PROTEIN

(Mus musculus) 		PF07738
(Sad1_UNC) 		4 ILE A 630
LEU A 644
PHE A 661
ARG A 692
 None
 1.05A 3ag2N-5ed8A:
undetectable
3ag2W-5ed8A:
undetectable		 3ag2N-5ed8A:
19.08
3ag2W-5ed8A:
13.46
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.
5edj FRPC OPERON PROTEIN

(Neisseria
meningitidis) 		PF06901
(FrpC) 		4 ILE A  72
PHE A  63
ARG A  79
THR A  81
 None
 0.92A 3ag2N-5edjA:
undetectable
3ag2W-5edjA:
undetectable		 3ag2N-5edjA:
16.42
3ag2W-5edjA:
12.09
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		4 ILE A4801
TYR A4762
MET A4765
THR A4767
 None
 1.00A 3ag2N-5f59A:
undetectable
3ag2W-5f59A:
undetectable		 3ag2N-5f59A:
13.20
3ag2W-5f59A:
14.38
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		4 ILE A  48
TYR A  53
MET A  24
THR A  23
 None
 0.97A 3ag2N-5gk2A:
undetectable
3ag2W-5gk2A:
undetectable		 3ag2N-5gk2A:
19.85
3ag2W-5gk2A:
8.50
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 ILE A 868
LEU A1115
TYR A 830
THR A1075
 None
 1.04A 3ag2N-5gn1A:
2.2
3ag2W-5gn1A:
undetectable		 3ag2N-5gn1A:
19.16
3ag2W-5gn1A:
10.78
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 ILE A 117
LEU A 124
PHE A 115
THR A 178
 None
 1.03A 3ag2N-5gndA:
undetectable
3ag2W-5gndA:
undetectable		 3ag2N-5gndA:
20.16
3ag2W-5gndA:
9.25
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.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		4 ILE A 126
PHE A 127
ARG A 211
MET A 176
 None
 0.85A 3ag2N-5gzyA:
undetectable
3ag2W-5gzyA:
undetectable		 3ag2N-5gzyA:
20.49
3ag2W-5gzyA:
9.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 946
PHE A 968
MET A 908
THR A 909
 None
 1.02A 3ag2N-5j9zA:
undetectable
3ag2W-5j9zA:
undetectable		 3ag2N-5j9zA:
20.23
3ag2W-5j9zA:
12.73
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.
5kem BDBV91 VARIABLE FAB
DOMAIN LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 PHE C  92
ARG C  24
MET C   4
THR C   5
 None
 1.05A 3ag2N-5kemC:
undetectable
3ag2W-5kemC:
undetectable		 3ag2N-5kemC:
11.18
3ag2W-5kemC:
19.63
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		5 LEU A 452
TYR A 392
ARG A 393
MET A 396
THR A 397
 5MY  A 502 (-4.6A)
None
None
None
None
 1.32A 3ag2N-5mwlA:
undetectable
3ag2W-5mwlA:
undetectable		 3ag2N-5mwlA:
19.60
3ag2W-5mwlA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 4 LEU A 163
ARG A 149
MET A 604
THR A 603
 None
 0.88A 3ag2N-5nqdA:
undetectable
3ag2W-5nqdA:
undetectable		 3ag2N-5nqdA:
undetectable
3ag2W-5nqdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 ILE A 371
PHE A 404
ARG A 414
THR A 367
 None
 1.05A 3ag2N-5ot1A:
undetectable
3ag2W-5ot1A:
undetectable		 3ag2N-5ot1A:
undetectable
3ag2W-5ot1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 ILE A 111
LEU A  92
PHE A 109
THR A 180
 None
 0.97A 3ag2N-5tkfA:
undetectable
3ag2W-5tkfA:
undetectable		 3ag2N-5tkfA:
17.48
3ag2W-5tkfA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 4 ILE T 189
LEU T 203
PHE T 187
ARG T 171
 None
 1.02A 3ag2N-5vftT:
undetectable
3ag2W-5vftT:
undetectable		 3ag2N-5vftT:
undetectable
3ag2W-5vftT:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w5f TAIL TUBE PROTEIN
GP19

(Enterobacteria
phage T4 sensu
lato) 		PF06841
(Phage_T4_gp19) 		4 ILE A  25
LEU A  28
PHE A  32
THR A 156
 None
 1.04A 3ag2N-5w5fA:
undetectable
3ag2W-5w5fA:
undetectable		 3ag2N-5w5fA:
15.76
3ag2W-5w5fA:
16.22
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 ILE A 361
LEU A 367
TYR A 414
THR A 384
 None
 1.04A 3ag2N-5wp5A:
1.2
3ag2W-5wp5A:
undetectable		 3ag2N-5wp5A:
20.45
3ag2W-5wp5A:
8.76
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 4 ILE A 323
PHE A 321
ARG A 345
THR A 263
 None
 1.05A 3ag2N-5wypA:
undetectable
3ag2W-5wypA:
undetectable		 3ag2N-5wypA:
undetectable
3ag2W-5wypA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x4r S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 4 ILE A 250
LEU A 273
TYR A 144
THR A 178
 NAG  A 502 ( 4.3A)
None
None
None
 1.04A 3ag2N-5x4rA:
undetectable
3ag2W-5x4rA:
undetectable		 3ag2N-5x4rA:
19.89
3ag2W-5x4rA:
9.65
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		4 ILE A 250
LEU A 273
TYR A 144
THR A 178
 NAG  A1402 ( 4.5A)
None
None
None
 1.05A 3ag2N-5x59A:
undetectable
3ag2W-5x59A:
undetectable		 3ag2N-5x59A:
16.77
3ag2W-5x59A:
3.92
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		4 ILE A  86
TYR A  77
MET A 295
THR A 294
 None
 0.85A 3ag2N-5xe0A:
undetectable
3ag2W-5xe0A:
undetectable		 3ag2N-5xe0A:
20.98
3ag2W-5xe0A:
8.90