SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG4_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.
1d1j PROFILIN II

(Homo sapiens) 		PF00235
(Profilin) 		4 PHE A  58
ARG A  74
MET A  85
THR A  84
 None
 0.88A 3ag4N-1d1jA:
undetectable
3ag4W-1d1jA:
undetectable		 3ag4N-1d1jA:
15.87
3ag4W-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.
1go3 DNA-DIRECTED RNA
POLYMERASE SUBUNIT E

(Methanocaldococcus
jannaschii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		4 ILE E 176
LEU E 173
MET E 165
THR E 164
 None
 1.04A 3ag4N-1go3E:
undetectable
3ag4W-1go3E:
0.0		 3ag4N-1go3E:
14.98
3ag4W-1go3E:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 ILE A 119
LEU A 122
MET A 169
THR A 170
 None
 0.99A 3ag4N-1gynA:
0.0
3ag4W-1gynA:
0.1		 3ag4N-1gynA:
20.57
3ag4W-1gynA:
11.35
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.
1hu8 CELLULAR TUMOR
ANTIGEN P53

(Mus musculus) 		PF00870
(P53) 		4 ILE A 252
PHE A 267
TYR A 233
THR A 137
 None
 1.02A 3ag4N-1hu8A:
undetectable
3ag4W-1hu8A:
0.0		 3ag4N-1hu8A:
15.26
3ag4W-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
 1.03A 3ag4N-1iq0A:
0.4
3ag4W-1iq0A:
0.0		 3ag4N-1iq0A:
22.20
3ag4W-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.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
ARG A  40
THR A  38
 None
 0.92A 3ag4N-1jedA:
0.0
3ag4W-1jedA:
0.0		 3ag4N-1jedA:
21.17
3ag4W-1jedA:
8.97
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.
1kej TERMINAL
DEOXYNUCLEOTIDYLTRAN
SFERASE SHORT
ISOFORM

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 LEU A 500
PHE A 495
ARG A 336
THR A 159
 None
None
DAD  A 601 (-3.2A)
None
 0.99A 3ag4N-1kejA:
0.4
3ag4W-1kejA:
0.0		 3ag4N-1kejA:
19.85
3ag4W-1kejA:
11.08
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.
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
 1.05A 3ag4N-1kywA:
0.0
3ag4W-1kywA:
0.0		 3ag4N-1kywA:
22.20
3ag4W-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 3ag4N-1luaA:
0.0
3ag4W-1luaA:
0.0		 3ag4N-1luaA:
19.12
3ag4W-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.
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
 0.92A 3ag4N-1mowA:
0.7
3ag4W-1mowA:
undetectable		 3ag4N-1mowA:
18.60
3ag4W-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 3ag4N-1pm2A:
0.8
3ag4W-1pm2A:
undetectable		 3ag4N-1pm2A:
19.19
3ag4W-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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A  48
LEU A  49
ARG A  40
THR A  38
 None
 0.95A 3ag4N-1r6xA:
0.0
3ag4W-1r6xA:
undetectable		 3ag4N-1r6xA:
21.48
3ag4W-1r6xA:
11.44
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.
1rc9 CYSTEINE-RICH
SECRETORY PROTEIN

(Trimeresurus
stejnegeri) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.97A 3ag4N-1rc9A:
undetectable
3ag4W-1rc9A:
undetectable		 3ag4N-1rc9A:
17.70
3ag4W-1rc9A:
11.01
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.
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
 1.06A 3ag4N-1tmxA:
2.0
3ag4W-1tmxA:
undetectable		 3ag4N-1tmxA:
20.53
3ag4W-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.
1ups GLCNAC-ALPHA-1,4-GAL
-RELEASING
ENDO-BETA-GALACTOSID
ASE

(Clostridium
perfringens) 		PF00722
(Glyco_hydro_16) 		4 ILE A 238
LEU A 226
PHE A 228
ARG A 183
 None
 1.02A 3ag4N-1upsA:
undetectable
3ag4W-1upsA:
undetectable		 3ag4N-1upsA:
19.44
3ag4W-1upsA:
8.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxe FIBER PROTEIN

(Human
mastadenovirus
D) 		PF00541
(Adeno_knob) 		4 ILE A 337
LEU A 248
PHE A 250
THR A 185
 None
 1.06A 3ag4N-1uxeA:
undetectable
3ag4W-1uxeA:
undetectable		 3ag4N-1uxeA:
16.05
3ag4W-1uxeA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v43 SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ILE A 361
PHE A 287
ARG A 310
MET A 294
THR A 295
 None
 1.45A 3ag4N-1v43A:
undetectable
3ag4W-1v43A:
undetectable		 3ag4N-1v43A:
21.39
3ag4W-1v43A:
9.73
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.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.94A 3ag4N-1wvrA:
undetectable
3ag4W-1wvrA:
undetectable		 3ag4N-1wvrA:
15.85
3ag4W-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.
1xx5 NATRIN 1

(Naja atra) 		PF00188
(CAP)
PF08562
(Crisp) 		4 ILE A  90
LEU A  21
TYR A 147
THR A 117
 None
 0.97A 3ag4N-1xx5A:
undetectable
3ag4W-1xx5A:
undetectable		 3ag4N-1xx5A:
16.47
3ag4W-1xx5A:
14.75
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		4 ILE A 679
LEU A 801
ARG A 738
THR A 683
 PMM  A1865 ( 4.7A)
PMM  A1865 (-4.7A)
None
None
 1.04A 3ag4N-2bmbA:
undetectable
3ag4W-2bmbA:
undetectable		 3ag4N-2bmbA:
20.91
3ag4W-2bmbA:
10.42
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.
2bwj ADENYLATE KINASE 5

(Homo sapiens) 		PF00406
(ADK) 		4 ILE A  14
LEU A  94
PHE A  37
THR A 191
 None
 1.02A 3ag4N-2bwjA:
undetectable
3ag4W-2bwjA:
undetectable		 3ag4N-2bwjA:
17.49
3ag4W-2bwjA:
14.94
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.
2cfe ALLERGEN

(Malassezia
sympodialis) 		PF00160
(Pro_isomerase) 		4 ILE A 112
LEU A  60
PHE A  51
THR A  17
 None
 1.05A 3ag4N-2cfeA:
undetectable
3ag4W-2cfeA:
undetectable		 3ag4N-2cfeA:
16.14
3ag4W-2cfeA:
15.82
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.
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
 1.06A 3ag4N-2cphA:
undetectable
3ag4W-2cphA:
undetectable		 3ag4N-2cphA:
12.76
3ag4W-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 120
 None
 0.98A 3ag4N-2dx5A:
undetectable
3ag4W-2dx5A:
undetectable		 3ag4N-2dx5A:
12.45
3ag4W-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.
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 3ag4N-2efjA:
undetectable
3ag4W-2efjA:
undetectable		 3ag4N-2efjA:
22.83
3ag4W-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.
2fej CELLULAR TUMOR
ANTIGEN P53

(Homo sapiens) 		PF00870
(P53) 		5 ILE A 255
LEU A 111
PHE A 270
TYR A 236
THR A 140
 None
 1.46A 3ag4N-2fejA:
undetectable
3ag4W-2fejA:
undetectable		 3ag4N-2fejA:
15.09
3ag4W-2fejA:
14.07
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.
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
 1.05A 3ag4N-2hczX:
undetectable
3ag4W-2hczX:
undetectable		 3ag4N-2hczX:
17.97
3ag4W-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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		4 LEU A 131
PHE A 132
MET A  71
THR A  72
 None
 0.99A 3ag4N-2ibnA:
undetectable
3ag4W-2ibnA:
undetectable		 3ag4N-2ibnA:
17.97
3ag4W-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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		4 ILE A 250
PHE A 192
ARG A 272
THR A 275
 None
 0.90A 3ag4N-2q7sA:
undetectable
3ag4W-2q7sA:
undetectable		 3ag4N-2q7sA:
19.19
3ag4W-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.
2v3m NAF1

(Saccharomyces
cerevisiae) 		PF04410
(Gar1) 		4 ILE A 153
LEU A 143
ARG A 162
THR A 138
 None
 0.91A 3ag4N-2v3mA:
undetectable
3ag4W-2v3mA:
undetectable		 3ag4N-2v3mA:
12.45
3ag4W-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.
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
 1.01A 3ag4N-2v7bA:
undetectable
3ag4W-2v7bA:
undetectable		 3ag4N-2v7bA:
21.98
3ag4W-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.
2vrs SIGMA-C CAPSID
PROTEIN

(Avian
orthoreovirus) 		PF04582
(Reo_sigmaC) 		4 ILE A 303
PHE A 301
ARG A 321
MET A 231
 None
 1.04A 3ag4N-2vrsA:
undetectable
3ag4W-2vrsA:
undetectable		 3ag4N-2vrsA:
18.48
3ag4W-2vrsA:
15.43
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.
2wvw RBCX PROTEIN

(Anabaena sp. CA
= ATCC 33047) 		PF02341
(RcbX) 		4 PHE I  60
ARG I  69
MET I  71
THR I  72
 None
 1.05A 3ag4N-2wvwI:
undetectable
3ag4W-2wvwI:
undetectable		 3ag4N-2wvwI:
13.93
3ag4W-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
 1.04A 3ag4N-2wyhA:
2.1
3ag4W-2wyhA:
undetectable		 3ag4N-2wyhA:
20.26
3ag4W-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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 183
ARG A 231
MET A 234
THR A 213
 None
 1.02A 3ag4N-2xe4A:
undetectable
3ag4W-2xe4A:
undetectable		 3ag4N-2xe4A:
19.95
3ag4W-2xe4A:
6.97
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
 0.43A 3ag4N-2y69J:
undetectable
3ag4W-2y69J:
7.9		 3ag4N-2y69J:
10.31
3ag4W-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
 0.98A 3ag4N-2yrfA:
undetectable
3ag4W-2yrfA:
undetectable		 3ag4N-2yrfA:
20.95
3ag4W-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.
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
 0.72A 3ag4N-2ze0A:
undetectable
3ag4W-2ze0A:
undetectable		 3ag4N-2ze0A:
19.59
3ag4W-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.
2zu8 MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Pyrococcus
horikoshii) 		PF09488
(Osmo_MPGsynth) 		4 ILE A 370
LEU A 154
MET A 256
THR A 255
 None
 1.06A 3ag4N-2zu8A:
undetectable
3ag4W-2zu8A:
undetectable		 3ag4N-2zu8A:
20.08
3ag4W-2zu8A:
9.14
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A 644
PHE A 702
ARG A 698
MET A 638
 None
 1.01A 3ag4N-3ak5A:
undetectable
3ag4W-3ak5A:
undetectable		 3ag4N-3ak5A:
20.80
3ag4W-3ak5A:
5.17
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.
3anw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermococcus
kodakarensis) 		no annotation 4 ILE A 141
LEU A 145
PHE A 159
THR A 169
 None
 1.04A 3ag4N-3anwA:
undetectable
3ag4W-3anwA:
undetectable		 3ag4N-3anwA:
16.15
3ag4W-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.
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
 0.78A 3ag4N-3dcpA:
undetectable
3ag4W-3dcpA:
undetectable		 3ag4N-3dcpA:
19.37
3ag4W-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
 0.92A 3ag4N-3e0sA:
1.1
3ag4W-3e0sA:
undetectable		 3ag4N-3e0sA:
19.13
3ag4W-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.
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
 0.99A 3ag4N-3f2bA:
undetectable
3ag4W-3f2bA:
undetectable		 3ag4N-3f2bA:
20.21
3ag4W-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.
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 4 ILE A 417
LEU A 464
PHE A 442
THR A 421
 None
None
None
IOD  A 487 (-3.9A)
 1.04A 3ag4N-3hr6A:
undetectable
3ag4W-3hr6A:
undetectable		 3ag4N-3hr6A:
21.15
3ag4W-3hr6A:
9.22
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.
3ira CONSERVED PROTEIN

(Methanosarcina
mazei) 		PF03190
(Thioredox_DsbH) 		4 ILE A 109
PHE A  74
ARG A 140
MET A 134
 None
 1.06A 3ag4N-3iraA:
undetectable
3ag4W-3iraA:
undetectable		 3ag4N-3iraA:
14.40
3ag4W-3iraA:
18.18
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.
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
 0.86A 3ag4N-3ix1A:
undetectable
3ag4W-3ix1A:
undetectable		 3ag4N-3ix1A:
19.80
3ag4W-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.
3js9 NUCLEOSIDE
DIPHOSPHATE KINASE
FAMILY PROTEIN

(Babesia bovis) 		PF00334
(NDK) 		4 LEU A  61
PHE A  58
MET A  42
THR A  41
 None
 1.03A 3ag4N-3js9A:
undetectable
3ag4W-3js9A:
undetectable		 3ag4N-3js9A:
13.51
3ag4W-3js9A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 172
TYR A 245
ARG A 126
THR A 143
 None
 0.99A 3ag4N-3kt4A:
undetectable
3ag4W-3kt4A:
undetectable		 3ag4N-3kt4A:
19.94
3ag4W-3kt4A:
7.22
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 ILE A 104
LEU A  99
ARG A  83
THR A  86
 None
 0.90A 3ag4N-3l2nA:
undetectable
3ag4W-3l2nA:
undetectable		 3ag4N-3l2nA:
21.32
3ag4W-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
 1.01A 3ag4N-3lrkA:
undetectable
3ag4W-3lrkA:
undetectable		 3ag4N-3lrkA:
20.99
3ag4W-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.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		4 ILE A  70
LEU A  65
PHE A  66
THR A 141
 None
 0.91A 3ag4N-3ni8A:
undetectable
3ag4W-3ni8A:
undetectable		 3ag4N-3ni8A:
13.13
3ag4W-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.
3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH) 		4 LEU A 379
PHE A 407
ARG A 249
MET A 343
 LEU  A 379 ( 0.6A)
PHE  A 407 ( 1.3A)
ARG  A 249 ( 0.6A)
MET  A 343 ( 0.0A)
 1.04A 3ag4N-3o96A:
1.0
3ag4W-3o96A:
undetectable		 3ag4N-3o96A:
19.89
3ag4W-3o96A:
9.90
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.
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
 1.03A 3ag4N-3pp0A:
undetectable
3ag4W-3pp0A:
undetectable		 3ag4N-3pp0A:
19.81
3ag4W-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.
3r44 FATTY ACYL COA
SYNTHETASE FADD13
(FATTY-ACYL-COA
SYNTHETASE)

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A  84
LEU A  60
ARG A  56
THR A 127
 None
 1.02A 3ag4N-3r44A:
undetectable
3ag4W-3r44A:
undetectable		 3ag4N-3r44A:
22.36
3ag4W-3r44A:
7.93
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.
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
 0.96A 3ag4N-3t5bA:
undetectable
3ag4W-3t5bA:
undetectable		 3ag4N-3t5bA:
22.16
3ag4W-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.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei) 		PF08543
(Phos_pyr_kin) 		4 ILE A  80
TYR A  61
ARG A  93
MET A  65
 None
 0.96A 3ag4N-3zs7A:
undetectable
3ag4W-3zs7A:
undetectable		 3ag4N-3zs7A:
18.92
3ag4W-3zs7A:
12.88
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.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		4 ILE A 256
LEU A 300
PHE A 325
ARG A 252
 None
 1.05A 3ag4N-3zthA:
undetectable
3ag4W-3zthA:
undetectable		 3ag4N-3zthA:
21.50
3ag4W-3zthA:
9.94
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		4 LEU A 502
PHE A 498
TYR A 439
MET A 344
 None
None
None
SF4  A1510 (-4.5A)
 1.05A 3ag4N-3zxsA:
undetectable
3ag4W-3zxsA:
undetectable		 3ag4N-3zxsA:
22.32
3ag4W-3zxsA:
8.48
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ILE A 329
LEU A 379
PHE A 381
ARG A 393
 None
 1.04A 3ag4N-4bfrA:
undetectable
3ag4W-4bfrA:
undetectable		 3ag4N-4bfrA:
18.38
3ag4W-4bfrA:
4.75
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.
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
 0.95A 3ag4N-4bizA:
2.6
3ag4W-4bizA:
undetectable		 3ag4N-4bizA:
17.40
3ag4W-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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 ILE A 183
PHE A 220
TYR A 275
THR A 210
 None
 0.98A 3ag4N-4fgmA:
undetectable
3ag4W-4fgmA:
undetectable		 3ag4N-4fgmA:
21.18
3ag4W-4fgmA:
6.53
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.
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
 0.99A 3ag4N-4fi9A:
undetectable
3ag4W-4fi9A:
undetectable		 3ag4N-4fi9A:
17.12
3ag4W-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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 ILE A 282
LEU A 262
ARG A 289
THR A 286
 None
 1.05A 3ag4N-4i96A:
undetectable
3ag4W-4i96A:
undetectable		 3ag4N-4i96A:
19.34
3ag4W-4i96A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.05A 3ag4N-4kdxA:
undetectable
3ag4W-4kdxA:
undetectable		 3ag4N-4kdxA:
17.55
3ag4W-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
 1.06A 3ag4N-4lj2A:
undetectable
3ag4W-4lj2A:
undetectable		 3ag4N-4lj2A:
21.71
3ag4W-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
 0.77A 3ag4N-4m1aA:
undetectable
3ag4W-4m1aA:
undetectable		 3ag4N-4m1aA:
12.03
3ag4W-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
 0.98A 3ag4N-4o5pA:
undetectable
3ag4W-4o5pA:
undetectable		 3ag4N-4o5pA:
19.53
3ag4W-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
 1.01A 3ag4N-4pbvA:
undetectable
3ag4W-4pbvA:
undetectable		 3ag4N-4pbvA:
18.97
3ag4W-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.
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)
 1.02A 3ag4N-4qmeA:
undetectable
3ag4W-4qmeA:
undetectable		 3ag4N-4qmeA:
19.71
3ag4W-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
 1.01A 3ag4N-4qybA:
undetectable
3ag4W-4qybA:
undetectable		 3ag4N-4qybA:
14.50
3ag4W-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)
 0.82A 3ag4N-4rk9A:
undetectable
3ag4W-4rk9A:
undetectable		 3ag4N-4rk9A:
21.64
3ag4W-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.
4txv CYTOCHROME C OXIDASE
SUBUNIT 2

(Bradyrhizobium
diazoefficiens) 		PF00116
(COX2) 		4 ILE B 183
PHE B 217
ARG B 245
MET B 175
 None
 1.04A 3ag4N-4txvB:
undetectable
3ag4W-4txvB:
undetectable		 3ag4N-4txvB:
14.96
3ag4W-4txvB:
19.42
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.
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
 0.88A 3ag4N-4w1wA:
undetectable
3ag4W-4w1wA:
undetectable		 3ag4N-4w1wA:
22.73
3ag4W-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
 1.02A 3ag4N-4xgcD:
undetectable
3ag4W-4xgcD:
undetectable		 3ag4N-4xgcD:
21.64
3ag4W-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
 0.97A 3ag4N-4yomA:
undetectable
3ag4W-4yomA:
undetectable		 3ag4N-4yomA:
13.44
3ag4W-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
 0.97A 3ag4N-4zk3A:
undetectable
3ag4W-4zk3A:
undetectable		 3ag4N-4zk3A:
20.65
3ag4W-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.
4zo0 PROTEIN REP68

(Adeno-associated
dependoparvovirus
A) 		PF08724
(Rep_N) 		4 ILE A   9
PHE A 132
ARG A 119
THR A  65
 None
 0.87A 3ag4N-4zo0A:
undetectable
3ag4W-4zo0A:
undetectable		 3ag4N-4zo0A:
16.50
3ag4W-4zo0A:
17.78
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.
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
 0.89A 3ag4N-4zu9A:
undetectable
3ag4W-4zu9A:
undetectable		 3ag4N-4zu9A:
20.62
3ag4W-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  35
 None
 1.06A 3ag4N-5b5kA:
2.4
3ag4W-5b5kA:
undetectable		 3ag4N-5b5kA:
17.82
3ag4W-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.
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 3ag4N-5b5kA:
2.4
3ag4W-5b5kA:
undetectable		 3ag4N-5b5kA:
17.82
3ag4W-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
 1.04A 3ag4N-5bykA:
undetectable
3ag4W-5bykA:
undetectable		 3ag4N-5bykA:
18.80
3ag4W-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
 0.95A 3ag4N-5c65A:
undetectable
3ag4W-5c65A:
undetectable		 3ag4N-5c65A:
24.43
3ag4W-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 3ag4N-5ce0A:
undetectable
3ag4W-5ce0A:
undetectable		 3ag4N-5ce0A:
20.49
3ag4W-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 3ag4N-5cvvA:
0.7
3ag4W-5cvvA:
undetectable		 3ag4N-5cvvA:
21.65
3ag4W-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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 ILE A 294
PHE A  20
MET A 252
THR A 253
 None
 0.92A 3ag4N-5cxpA:
undetectable
3ag4W-5cxpA:
undetectable		 3ag4N-5cxpA:
22.05
3ag4W-5cxpA:
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.
5d73 GLUTATHIONE
S-TRANSFERASE

(Wuchereria
bancrofti) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 LEU A 125
PHE A 128
ARG A  95
THR A  99
 None
None
GSH  A 301 (-3.8A)
None
 1.00A 3ag4N-5d73A:
undetectable
3ag4W-5d73A:
undetectable		 3ag4N-5d73A:
16.63
3ag4W-5d73A:
15.92
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.
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)
 0.97A 3ag4N-5dfmA:
undetectable
3ag4W-5dfmA:
undetectable		 3ag4N-5dfmA:
21.09
3ag4W-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.
5edj FRPC OPERON PROTEIN

(Neisseria
meningitidis) 		PF06901
(FrpC) 		4 ILE A  72
PHE A  63
ARG A  79
THR A  81
 None
 0.89A 3ag4N-5edjA:
undetectable
3ag4W-5edjA:
undetectable		 3ag4N-5edjA:
16.42
3ag4W-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
 0.95A 3ag4N-5f59A:
undetectable
3ag4W-5f59A:
undetectable		 3ag4N-5f59A:
13.20
3ag4W-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
 0.98A 3ag4N-5gk2A:
undetectable
3ag4W-5gk2A:
undetectable		 3ag4N-5gk2A:
19.85
3ag4W-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.
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
 1.04A 3ag4N-5gndA:
undetectable
3ag4W-5gndA:
undetectable		 3ag4N-5gndA:
20.16
3ag4W-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
 0.92A 3ag4N-5gzyA:
1.1
3ag4W-5gzyA:
undetectable		 3ag4N-5gzyA:
20.49
3ag4W-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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 ILE A 341
LEU A 315
PHE A 320
ARG A 440
 None
 1.02A 3ag4N-5hmqA:
undetectable
3ag4W-5hmqA:
undetectable		 3ag4N-5hmqA:
21.02
3ag4W-5hmqA:
6.82
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		4 ILE A 293
PHE A 374
MET A 300
THR A 301
 None
 1.05A 3ag4N-5huqA:
undetectable
3ag4W-5huqA:
undetectable		 3ag4N-5huqA:
20.72
3ag4W-5huqA:
8.56
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.05A 3ag4N-5j9zA:
1.5
3ag4W-5j9zA:
undetectable		 3ag4N-5j9zA:
20.23
3ag4W-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.
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
 1.24A 3ag4N-5mwlA:
undetectable
3ag4W-5mwlA:
undetectable		 3ag4N-5mwlA:
19.60
3ag4W-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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ILE A 628
LEU A 792
TYR A 723
THR A 729
 None
 1.02A 3ag4N-5nz7A:
undetectable
3ag4W-5nz7A:
undetectable		 3ag4N-5nz7A:
18.92
3ag4W-5nz7A:
4.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oki SISTER CHROMATID
COHESION PROTEIN
DCC1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU C 332
PHE C 333
ARG C 368
THR C 375
 None
 1.00A 3ag4N-5okiC:
undetectable
3ag4W-5okiC:
undetectable		 3ag4N-5okiC:
undetectable
3ag4W-5okiC:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 4 ILE A 498
PHE A 390
ARG A 521
THR A 526
 None
 1.01A 3ag4N-5oynA:
undetectable
3ag4W-5oynA:
undetectable		 3ag4N-5oynA:
undetectable
3ag4W-5oynA:
undetectable