SIMILAR PATTERNS OF AMINO ACIDS FOR 3HRD_E_NIOE5660

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.
1a0c XYLOSE ISOMERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF01261
(AP_endonuc_2) 		3 GLU A 267
GLU A 231
TRP A  48
 CO  A 492 ( 2.5A)
CO  A 491 ( 2.4A)
None
 1.18A 3hrdA-1a0cA:
0.0
3hrdE-1a0cA:
0.0
3hrdF-1a0cA:
0.0		 3hrdA-1a0cA:
21.70
3hrdE-1a0cA:
21.70
3hrdF-1a0cA:
20.22
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.
1a0d XYLOSE ISOMERASE

(Geobacillus
stearothermophilus) 		PF01261
(AP_endonuc_2) 		3 GLU A 265
GLU A 229
TRP A  47
 MN  A 492 ( 2.3A)
MN  A 491 ( 2.4A)
None
 1.22A 3hrdA-1a0dA:
0.0
3hrdE-1a0dA:
0.0
3hrdF-1a0dA:
0.0		 3hrdA-1a0dA:
21.55
3hrdE-1a0dA:
21.55
3hrdF-1a0dA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a0e XYLOSE ISOMERASE

(Thermotoga
neapolitana) 		PF01261
(AP_endonuc_2) 		3 GLU A 267
GLU A 231
TRP A  48
 CO  A 492 ( 2.5A)
CO  A 491 ( 2.4A)
None
 1.29A 3hrdA-1a0eA:
0.0
3hrdE-1a0eA:
0.0
3hrdF-1a0eA:
0.0		 3hrdA-1a0eA:
21.05
3hrdE-1a0eA:
21.05
3hrdF-1a0eA:
23.00
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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		3 GLU A 217
GLU A 181
TRP A  16
 None
 1.25A 3hrdA-1bhwA:
0.0
3hrdE-1bhwA:
0.2
3hrdF-1bhwA:
0.0		 3hrdA-1bhwA:
25.87
3hrdE-1bhwA:
25.87
3hrdF-1bhwA:
22.08
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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		3 GLU A 216
GLU A 180
TRP A  15
 None
 1.29A 3hrdA-1bxcA:
0.0
3hrdE-1bxcA:
0.0
3hrdF-1bxcA:
0.0		 3hrdA-1bxcA:
22.73
3hrdE-1bxcA:
22.73
3hrdF-1bxcA:
24.14
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 GLU A 458
GLU A 457
TRP A 446
 None
 0.90A 3hrdA-1d6mA:
0.0
3hrdE-1d6mA:
0.0
3hrdF-1d6mA:
0.0		 3hrdA-1d6mA:
20.54
3hrdE-1d6mA:
20.54
3hrdF-1d6mA:
18.69
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.
1edx RHODOPSIN

(Bos taurus) 		PF10413
(Rhodopsin_N) 		3 GLU A  36
GLU A   5
TRP A  35
 None
 1.32A 3hrdA-1edxA:
undetectable
3hrdE-1edxA:
undetectable
3hrdF-1edxA:
undetectable		 3hrdA-1edxA:
6.43
3hrdE-1edxA:
6.43
3hrdF-1edxA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		3 GLU A 623
GLU A 622
TRP A 615
 None
 1.07A 3hrdA-1jqoA:
0.0
3hrdE-1jqoA:
0.0
3hrdF-1jqoA:
0.0		 3hrdA-1jqoA:
19.86
3hrdE-1jqoA:
19.86
3hrdF-1jqoA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n6z HYPOTHETICAL 12.3
KDA PROTEIN IN
ZDS2-URA5 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF08987
(DUF1892) 		3 GLU A  52
GLU A  49
TRP A  56
 None
 1.31A 3hrdA-1n6zA:
0.0
3hrdE-1n6zA:
0.0
3hrdF-1n6zA:
0.0		 3hrdA-1n6zA:
15.65
3hrdE-1n6zA:
15.65
3hrdF-1n6zA:
14.72
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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		3 GLU A 717
GLU A 716
TRP A 709
 None
 1.34A 3hrdA-1nd7A:
0.0
3hrdE-1nd7A:
0.0
3hrdF-1nd7A:
0.0		 3hrdA-1nd7A:
19.20
3hrdE-1nd7A:
19.20
3hrdF-1nd7A:
18.35
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.
1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2

(Homo sapiens) 		PF00051
(Kringle) 		3 GLU A  73
GLU A  17
TRP A  72
 None
 1.10A 3hrdA-1pmlA:
undetectable
3hrdE-1pmlA:
undetectable
3hrdF-1pmlA:
undetectable		 3hrdA-1pmlA:
11.56
3hrdE-1pmlA:
11.56
3hrdF-1pmlA:
15.67
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		3 GLU A 412
GLU A 409
TRP A 328
 None
 1.05A 3hrdA-1qoxA:
undetectable
3hrdE-1qoxA:
undetectable
3hrdF-1qoxA:
undetectable		 3hrdA-1qoxA:
20.65
3hrdE-1qoxA:
20.65
3hrdF-1qoxA:
22.67
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		3 GLU A 408
GLU A 405
TRP A 326
 None
GOL  A2000 (-2.6A)
None
 1.01A 3hrdA-1tr1A:
undetectable
3hrdE-1tr1A:
undetectable
3hrdF-1tr1A:
undetectable		 3hrdA-1tr1A:
20.20
3hrdE-1tr1A:
20.20
3hrdF-1tr1A:
21.44
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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 GLU A 425
GLU A 424
TRP A 295
 None
 1.25A 3hrdA-1tuoA:
undetectable
3hrdE-1tuoA:
undetectable
3hrdF-1tuoA:
undetectable		 3hrdA-1tuoA:
23.43
3hrdE-1tuoA:
23.43
3hrdF-1tuoA:
22.01
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.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 3 GLU A 226
GLU A 223
TRP A   3
 None
 1.33A 3hrdA-1u5uA:
undetectable
3hrdE-1u5uA:
undetectable
3hrdF-1u5uA:
undetectable		 3hrdA-1u5uA:
21.52
3hrdE-1u5uA:
21.52
3hrdF-1u5uA:
20.44
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 GLU A 429
GLU A 457
TRP A 422
 None
 1.29A 3hrdA-1ufaA:
undetectable
3hrdE-1ufaA:
undetectable
3hrdF-1ufaA:
undetectable		 3hrdA-1ufaA:
22.69
3hrdE-1ufaA:
22.69
3hrdF-1ufaA:
20.64
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.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		3 GLU A 372
GLU A 369
TRP A 299
 None
 0.83A 3hrdA-1vffA:
undetectable
3hrdE-1vffA:
undetectable
3hrdF-1vffA:
undetectable		 3hrdA-1vffA:
20.88
3hrdE-1vffA:
20.88
3hrdF-1vffA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq2 DEOXYCYTIDYLATE
DEAMINASE

(Escherichia
virus T4) 		PF00383
(dCMP_cyt_deam_1) 		3 GLU A 151
GLU A 189
TRP A 184
 None
 0.96A 3hrdA-1vq2A:
undetectable
3hrdE-1vq2A:
undetectable
3hrdF-1vq2A:
undetectable		 3hrdA-1vq2A:
19.39
3hrdE-1vq2A:
19.39
3hrdF-1vq2A:
20.06
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.
1x1f SIGNAL-TRANSDUCING
ADAPTOR PROTEIN 1

(Homo sapiens) 		PF00169
(PH) 		3 GLU A  21
GLU A  40
TRP A 104
 None
 1.29A 3hrdA-1x1fA:
undetectable
3hrdE-1x1fA:
undetectable
3hrdF-1x1fA:
undetectable		 3hrdA-1x1fA:
15.57
3hrdE-1x1fA:
15.57
3hrdF-1x1fA:
20.79
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.
1xpo RHO TRANSCRIPTION
TERMINATION FACTOR

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		3 GLU A 368
GLU A 369
TRP A 381
 None
 0.86A 3hrdA-1xpoA:
undetectable
3hrdE-1xpoA:
undetectable
3hrdF-1xpoA:
undetectable		 3hrdA-1xpoA:
22.53
3hrdE-1xpoA:
22.53
3hrdF-1xpoA:
22.61
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 GLU A 442
GLU A 394
TRP A 552
 None
None
NA  A7501 (-4.7A)
 1.05A 3hrdA-1yq2A:
undetectable
3hrdE-1yq2A:
undetectable
3hrdF-1yq2A:
undetectable		 3hrdA-1yq2A:
17.77
3hrdE-1yq2A:
17.77
3hrdF-1yq2A:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 GLU A 134
GLU A 133
TRP A 349
 NI  A 382 ( 2.1A)
NI  A 381 (-4.0A)
None
 1.34A 3hrdA-1ysjA:
undetectable
3hrdE-1ysjA:
undetectable
3hrdF-1ysjA:
undetectable		 3hrdA-1ysjA:
24.35
3hrdE-1ysjA:
24.35
3hrdF-1ysjA:
21.88
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.
1z4a FERRITIN

(Thermotoga
maritima) 		PF00210
(Ferritin) 		3 GLU A  51
GLU A 132
TRP A  44
 None
 1.33A 3hrdA-1z4aA:
undetectable
3hrdE-1z4aA:
undetectable
3hrdF-1z4aA:
undetectable		 3hrdA-1z4aA:
16.27
3hrdE-1z4aA:
16.27
3hrdF-1z4aA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z4a FERRITIN

(Thermotoga
maritima) 		PF00210
(Ferritin) 		3 GLU A 132
GLU A  96
TRP A  44
 None
 1.28A 3hrdA-1z4aA:
undetectable
3hrdE-1z4aA:
undetectable
3hrdF-1z4aA:
undetectable		 3hrdA-1z4aA:
16.27
3hrdE-1z4aA:
16.27
3hrdF-1z4aA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 GLU A 309
GLU A 308
TRP A 337
 None
 1.31A 3hrdA-2bucA:
undetectable
3hrdE-2bucA:
undetectable
3hrdF-2bucA:
undetectable		 3hrdA-2bucA:
19.78
3hrdE-2bucA:
19.78
3hrdF-2bucA:
17.59
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.
2cx4 BACTERIOFERRITIN
COMIGRATORY PROTEIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA) 		3 GLU A 145
GLU A  52
TRP A 137
 None
 1.32A 3hrdA-2cx4A:
undetectable
3hrdE-2cx4A:
undetectable
3hrdF-2cx4A:
undetectable		 3hrdA-2cx4A:
19.29
3hrdE-2cx4A:
19.29
3hrdF-2cx4A:
19.20
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.
2fu0 CYCLOPHILIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		3 GLU A  77
GLU A  79
TRP A  72
 None
 1.21A 3hrdA-2fu0A:
undetectable
3hrdE-2fu0A:
undetectable
3hrdF-2fu0A:
undetectable		 3hrdA-2fu0A:
16.31
3hrdE-2fu0A:
16.31
3hrdF-2fu0A:
18.46
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.
2ggj N-ACYLAMINO ACID
RACEMASE

(Deinococcus
radiodurans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLU A 300
GLU A  53
TRP A 330
 None
 1.32A 3hrdA-2ggjA:
0.4
3hrdE-2ggjA:
undetectable
3hrdF-2ggjA:
undetectable		 3hrdA-2ggjA:
23.66
3hrdE-2ggjA:
23.66
3hrdF-2ggjA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 GLU A 227
GLU A 277
TRP A 423
 None
 0.92A 3hrdA-2htvA:
undetectable
3hrdE-2htvA:
undetectable
3hrdF-2htvA:
undetectable		 3hrdA-2htvA:
21.24
3hrdE-2htvA:
21.24
3hrdF-2htvA:
22.33
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 GLU A 384
GLU A 388
TRP A 467
 None
 1.05A 3hrdA-2iopA:
undetectable
3hrdE-2iopA:
1.4
3hrdF-2iopA:
undetectable		 3hrdA-2iopA:
21.91
3hrdE-2iopA:
21.91
3hrdF-2iopA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		3 GLU A 408
GLU A 405
TRP A 324
 None
IDE  A1446 (-2.8A)
None
 1.01A 3hrdA-2j7cA:
undetectable
3hrdE-2j7cA:
undetectable
3hrdF-2j7cA:
undetectable		 3hrdA-2j7cA:
19.51
3hrdE-2j7cA:
19.51
3hrdF-2j7cA:
23.33
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		3 GLU A 536
GLU A 539
TRP A 583
 None
 1.33A 3hrdA-2owoA:
undetectable
3hrdE-2owoA:
undetectable
3hrdF-2owoA:
undetectable		 3hrdA-2owoA:
22.50
3hrdE-2owoA:
22.50
3hrdF-2owoA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 GLU A 157
GLU A 154
TRP A 183
 MN  A 460 ( 3.8A)
None
None
 0.91A 3hrdA-2pokA:
undetectable
3hrdE-2pokA:
undetectable
3hrdF-2pokA:
undetectable		 3hrdA-2pokA:
22.50
3hrdE-2pokA:
22.50
3hrdF-2pokA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk2 LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		3 GLU A 297
GLU A 300
TRP A 292
 None
 1.04A 3hrdA-2qk2A:
undetectable
3hrdE-2qk2A:
undetectable
3hrdF-2qk2A:
undetectable		 3hrdA-2qk2A:
21.33
3hrdE-2qk2A:
21.33
3hrdF-2qk2A:
21.98
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		3 GLU A 356
GLU A 352
TRP A  66
 None
 1.03A 3hrdA-2vcaA:
undetectable
3hrdE-2vcaA:
undetectable
3hrdF-2vcaA:
undetectable		 3hrdA-2vcaA:
18.88
3hrdE-2vcaA:
18.88
3hrdF-2vcaA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vut NITROGEN METABOLITE
REPRESSION REGULATOR
NMRA
NITROGEN REGULATORY
PROTEIN AREA

(Aspergillus
nidulans) 		PF00320
(GATA)
PF05368
(NmrA) 		3 GLU A 333
GLU A 337
TRP I 684
 None
 1.08A 3hrdA-2vutA:
undetectable
3hrdE-2vutA:
undetectable
3hrdF-2vutA:
undetectable		 3hrdA-2vutA:
20.71
3hrdE-2vutA:
20.71
3hrdF-2vutA:
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		3 GLU A 119
GLU A 122
TRP A 114
 None
 1.10A 3hrdA-2x2iA:
undetectable
3hrdE-2x2iA:
undetectable
3hrdF-2x2iA:
undetectable		 3hrdA-2x2iA:
18.07
3hrdE-2x2iA:
18.07
3hrdF-2x2iA:
15.54
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 GLU A 246
GLU A 113
TRP A 266
 None
 0.91A 3hrdA-2xtsA:
undetectable
3hrdE-2xtsA:
undetectable
3hrdF-2xtsA:
undetectable		 3hrdA-2xtsA:
24.30
3hrdE-2xtsA:
24.30
3hrdF-2xtsA:
21.67
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 3 GLU A  49
GLU A  47
TRP A  41
 None
 1.31A 3hrdA-3a0fA:
undetectable
3hrdE-3a0fA:
undetectable
3hrdF-3a0fA:
undetectable		 3hrdA-3a0fA:
21.26
3hrdE-3a0fA:
21.26
3hrdF-3a0fA:
18.79
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.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		3 GLU A 409
GLU A 406
TRP A 325
 None
 0.93A 3hrdA-3ahxA:
undetectable
3hrdE-3ahxA:
undetectable
3hrdF-3ahxA:
undetectable		 3hrdA-3ahxA:
21.36
3hrdE-3ahxA:
21.36
3hrdF-3ahxA:
21.66
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		3 GLU A 120
GLU A 119
TRP A 115
 None
 1.19A 3hrdA-3alyA:
undetectable
3hrdE-3alyA:
undetectable
3hrdF-3alyA:
undetectable		 3hrdA-3alyA:
18.16
3hrdE-3alyA:
18.16
3hrdF-3alyA:
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.
3ayh DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Schizosaccharomyces
pombe) 		PF03876
(SHS2_Rpb7-N)
PF08292
(RNA_pol_Rbc25) 		3 GLU B  28
GLU B  24
TRP B  19
 None
 1.24A 3hrdA-3ayhB:
undetectable
3hrdE-3ayhB:
undetectable
3hrdF-3ayhB:
undetectable		 3hrdA-3ayhB:
17.18
3hrdE-3ayhB:
17.18
3hrdF-3ayhB:
21.36
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.
3ayh DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Schizosaccharomyces
pombe) 		PF03876
(SHS2_Rpb7-N)
PF08292
(RNA_pol_Rbc25) 		3 GLU B  94
GLU B  95
TRP B 127
 None
 0.96A 3hrdA-3ayhB:
undetectable
3hrdE-3ayhB:
undetectable
3hrdF-3ayhB:
undetectable		 3hrdA-3ayhB:
17.18
3hrdE-3ayhB:
17.18
3hrdF-3ayhB:
21.36
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.
3bdq STEROL CARRIER
PROTEIN 2-LIKE 2

(Aedes aegypti) 		PF02036
(SCP2) 		3 GLU A   4
GLU A   8
TRP A  42
 None
 1.09A 3hrdA-3bdqA:
undetectable
3hrdE-3bdqA:
undetectable
3hrdF-3bdqA:
undetectable		 3hrdA-3bdqA:
13.27
3hrdE-3bdqA:
13.27
3hrdF-3bdqA:
14.91
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 GLU A 484
GLU A 438
TRP A 579
 MG  A   1 (-2.9A)
MG  A   1 (-2.9A)
None
 1.01A 3hrdA-3bgaA:
undetectable
3hrdE-3bgaA:
undetectable
3hrdF-3bgaA:
undetectable		 3hrdA-3bgaA:
18.20
3hrdE-3bgaA:
18.20
3hrdF-3bgaA:
15.22
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 GLU A 227
GLU A 277
TRP A 423
 ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
None
 0.93A 3hrdA-3ckzA:
undetectable
3hrdE-3ckzA:
undetectable
3hrdF-3ckzA:
undetectable		 3hrdA-3ckzA:
18.95
3hrdE-3ckzA:
18.95
3hrdF-3ckzA:
20.44
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.
3cru GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME

(Schistosoma
japonicum) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 GLU A  34
GLU A  37
TRP A   8
 None
None
GSH  A 215 (-4.2A)
 1.35A 3hrdA-3cruA:
undetectable
3hrdE-3cruA:
undetectable
3hrdF-3cruA:
undetectable		 3hrdA-3cruA:
17.06
3hrdE-3cruA:
17.06
3hrdF-3cruA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 GLU A 460
GLU A 414
TRP A 555
 None
 0.84A 3hrdA-3decA:
undetectable
3hrdE-3decA:
undetectable
3hrdF-3decA:
undetectable		 3hrdA-3decA:
18.47
3hrdE-3decA:
18.47
3hrdF-3decA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		3 GLU A 142
GLU A  48
TRP A 134
 None
 1.35A 3hrdA-3hjpA:
undetectable
3hrdE-3hjpA:
undetectable
3hrdF-3hjpA:
undetectable		 3hrdA-3hjpA:
18.12
3hrdE-3hjpA:
18.12
3hrdF-3hjpA:
19.88
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.
3kh1 PREDICTED
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Magnetospirillum
magnetotacticum) 		PF13023
(HD_3) 		3 GLU A  42
GLU A  38
TRP A  45
 None
 1.31A 3hrdA-3kh1A:
undetectable
3hrdE-3kh1A:
undetectable
3hrdF-3kh1A:
undetectable		 3hrdA-3kh1A:
19.39
3hrdE-3kh1A:
19.39
3hrdF-3kh1A:
19.64
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.
3msy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(marine
actinobacterium
PHSC20C1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 GLU A 320
GLU A 319
TRP A 294
 None
 1.25A 3hrdA-3msyA:
undetectable
3hrdE-3msyA:
undetectable
3hrdF-3msyA:
undetectable		 3hrdA-3msyA:
23.01
3hrdE-3msyA:
23.01
3hrdF-3msyA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 GLU A 432
GLU A 464
TRP A 425
 None
 1.31A 3hrdA-3n92A:
undetectable
3hrdE-3n92A:
undetectable
3hrdF-3n92A:
undetectable		 3hrdA-3n92A:
22.74
3hrdE-3n92A:
22.74
3hrdF-3n92A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		3 GLU A 482
GLU A 414
TRP A 582
 MG  A3001 ( 3.1A)
MG  A3001 (-2.8A)
GAL  A2001 (-4.0A)
 1.15A 3hrdA-3ob8A:
undetectable
3hrdE-3ob8A:
undetectable
3hrdF-3ob8A:
undetectable		 3hrdA-3ob8A:
18.41
3hrdE-3ob8A:
18.41
3hrdF-3ob8A:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		3 GLU A 419
GLU A 418
TRP A 424
 None
 1.26A 3hrdA-3or2A:
undetectable
3hrdE-3or2A:
undetectable
3hrdF-3or2A:
undetectable		 3hrdA-3or2A:
22.44
3hrdE-3or2A:
22.44
3hrdF-3or2A:
22.35
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		3 GLU A 174
GLU A 171
TRP A 225
 None
 0.96A 3hrdA-3qfhA:
undetectable
3hrdE-3qfhA:
undetectable
3hrdF-3qfhA:
undetectable		 3hrdA-3qfhA:
21.91
3hrdE-3qfhA:
21.91
3hrdF-3qfhA:
22.22
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		3 GLU A 139
GLU A 122
TRP A 145
 None
 1.30A 3hrdA-3sluA:
undetectable
3hrdE-3sluA:
undetectable
3hrdF-3sluA:
undetectable		 3hrdA-3sluA:
23.52
3hrdE-3sluA:
23.52
3hrdF-3sluA:
22.47
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.
3swo GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 GLU A  59
GLU A  63
TRP A  50
 None
 1.34A 3hrdA-3swoA:
undetectable
3hrdE-3swoA:
undetectable
3hrdF-3swoA:
undetectable		 3hrdA-3swoA:
23.53
3hrdE-3swoA:
23.53
3hrdF-3swoA:
22.09
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 GLU A 227
GLU A 277
TRP A 423
 LNV  A 901 (-3.4A)
LNV  A 901 ( 3.8A)
None
 0.91A 3hrdA-3ti8A:
undetectable
3hrdE-3ti8A:
undetectable
3hrdF-3ti8A:
undetectable		 3hrdA-3ti8A:
20.54
3hrdE-3ti8A:
20.54
3hrdF-3ti8A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 GLU A 320
GLU A 323
TRP A   8
 None
 1.02A 3hrdA-3uogA:
undetectable
3hrdE-3uogA:
undetectable
3hrdF-3uogA:
undetectable		 3hrdA-3uogA:
23.34
3hrdE-3uogA:
23.34
3hrdF-3uogA:
24.43
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.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis) 		PF13816
(Dehydratase_hem) 		3 GLU A 287
GLU A 290
TRP A 186
 None
 1.20A 3hrdA-3w08A:
undetectable
3hrdE-3w08A:
undetectable
3hrdF-3w08A:
undetectable		 3hrdA-3w08A:
20.67
3hrdE-3w08A:
20.67
3hrdF-3w08A:
21.18
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		3 GLU A 361
GLU A 379
TRP A 466
 TRS  A 503 (-2.9A)
None
None
 1.22A 3hrdA-3wmyA:
undetectable
3hrdE-3wmyA:
undetectable
3hrdF-3wmyA:
undetectable		 3hrdA-3wmyA:
21.58
3hrdE-3wmyA:
21.58
3hrdF-3wmyA:
21.74
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.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		3 GLU A 370
GLU A 122
TRP A 329
 None
 1.00A 3hrdA-3zpxA:
undetectable
3hrdE-3zpxA:
undetectable
3hrdF-3zpxA:
undetectable		 3hrdA-3zpxA:
22.57
3hrdE-3zpxA:
22.57
3hrdF-3zpxA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 3 GLU A 518
GLU A 683
TRP A 499
 None
 1.35A 3hrdA-4a7kA:
undetectable
3hrdE-4a7kA:
undetectable
3hrdF-4a7kA:
undetectable		 3hrdA-4a7kA:
19.67
3hrdE-4a7kA:
19.67
3hrdF-4a7kA:
16.84
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.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 GLU A 228
GLU A 278
TRP A 423
 None
G39  A1470 (-4.2A)
None
 0.95A 3hrdA-4b7jA:
undetectable
3hrdE-4b7jA:
undetectable
3hrdF-4b7jA:
undetectable		 3hrdA-4b7jA:
19.60
3hrdE-4b7jA:
19.60
3hrdF-4b7jA:
20.59
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		3 GLU A 414
GLU A 419
TRP A  12
 None
 1.21A 3hrdA-4b8sA:
undetectable
3hrdE-4b8sA:
undetectable
3hrdF-4b8sA:
undetectable		 3hrdA-4b8sA:
22.56
3hrdE-4b8sA:
22.56
3hrdF-4b8sA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		3 GLU A 301
GLU A 288
TRP A 313
 None
 1.19A 3hrdA-4bc7A:
undetectable
3hrdE-4bc7A:
undetectable
3hrdF-4bc7A:
undetectable		 3hrdA-4bc7A:
20.00
3hrdE-4bc7A:
20.00
3hrdF-4bc7A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		3 GLU A 248
GLU A 247
TRP A 272
 None
 1.04A 3hrdA-4bk1A:
undetectable
3hrdE-4bk1A:
undetectable
3hrdF-4bk1A:
undetectable		 3hrdA-4bk1A:
20.04
3hrdE-4bk1A:
20.04
3hrdF-4bk1A:
22.39
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.
4cso ORFY PROTEIN,
TRANSCRIPTION FACTOR

(Thermoproteus
tenax) 		no annotation 3 GLU A 137
GLU A 141
TRP A 175
 None
 1.21A 3hrdA-4csoA:
undetectable
3hrdE-4csoA:
undetectable
3hrdF-4csoA:
undetectable		 3hrdA-4csoA:
20.57
3hrdE-4csoA:
20.57
3hrdF-4csoA:
21.08
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.
4dgf SULFATE TRANSPORTER
SULFATE TRANSPORTER
FAMILY PROTEIN

(Wolinella
succinogenes) 		PF01740
(STAS) 		3 GLU A 508
GLU A 511
TRP A 504
 None
 1.26A 3hrdA-4dgfA:
undetectable
3hrdE-4dgfA:
undetectable
3hrdF-4dgfA:
undetectable		 3hrdA-4dgfA:
17.18
3hrdE-4dgfA:
17.18
3hrdF-4dgfA:
18.21
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		3 GLU A 444
GLU A 441
TRP A 360
 None
BGC  A 501 (-2.8A)
None
 1.05A 3hrdA-4hz8A:
undetectable
3hrdE-4hz8A:
undetectable
3hrdF-4hz8A:
undetectable		 3hrdA-4hz8A:
21.67
3hrdE-4hz8A:
21.67
3hrdF-4hz8A:
22.66
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.
4iua HEPATOCYTE GROWTH
FACTOR

(Mus musculus) 		PF00024
(PAN_1)
PF00051
(Kringle) 		3 GLU A 282
GLU A 228
TRP A 281
 None
 1.07A 3hrdA-4iuaA:
undetectable
3hrdE-4iuaA:
undetectable
3hrdF-4iuaA:
undetectable		 3hrdA-4iuaA:
20.53
3hrdE-4iuaA:
20.53
3hrdF-4iuaA:
19.94
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.
4k2n ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		3 GLU A 146
GLU A 115
TRP A  32
 None
 1.26A 3hrdA-4k2nA:
undetectable
3hrdE-4k2nA:
undetectable
3hrdF-4k2nA:
undetectable		 3hrdA-4k2nA:
22.22
3hrdE-4k2nA:
22.22
3hrdF-4k2nA:
22.44
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		3 GLU A 227
GLU A 277
TRP A 423
 27S  A 501 (-3.3A)
27S  A 501 (-3.4A)
None
 0.90A 3hrdA-4mjuA:
undetectable
3hrdE-4mjuA:
undetectable
3hrdF-4mjuA:
undetectable		 3hrdA-4mjuA:
21.51
3hrdE-4mjuA:
21.51
3hrdF-4mjuA:
23.00
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		3 GLU A 293
GLU A 290
TRP A 344
 None
 0.96A 3hrdA-4mzdA:
undetectable
3hrdE-4mzdA:
undetectable
3hrdF-4mzdA:
undetectable		 3hrdA-4mzdA:
22.93
3hrdE-4mzdA:
22.93
3hrdF-4mzdA:
20.75
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.
4n2z GH62
ARABINOFURANOSIDASE

(Podospora
anserina) 		PF03664
(Glyco_hydro_62) 		3 GLU A 216
GLU A 233
TRP A 325
 CTR  A 405 ( 2.8A)
None
None
 1.23A 3hrdA-4n2zA:
undetectable
3hrdE-4n2zA:
undetectable
3hrdF-4n2zA:
undetectable		 3hrdA-4n2zA:
23.33
3hrdE-4n2zA:
23.33
3hrdF-4n2zA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 GLU A 511
GLU A 515
TRP A 603
 None
 1.07A 3hrdA-4okdA:
undetectable
3hrdE-4okdA:
undetectable
3hrdF-4okdA:
undetectable		 3hrdA-4okdA:
19.91
3hrdE-4okdA:
19.91
3hrdF-4okdA:
18.22
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.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		3 GLU A 372
GLU A 387
TRP A 427
 None
 0.89A 3hrdA-4oxiA:
undetectable
3hrdE-4oxiA:
undetectable
3hrdF-4oxiA:
undetectable		 3hrdA-4oxiA:
21.27
3hrdE-4oxiA:
21.27
3hrdF-4oxiA:
21.11
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		3 GLU A 230
GLU A 251
TRP A 343
 2WS  A 601 (-2.7A)
None
None
 1.26A 3hrdA-4pviA:
undetectable
3hrdE-4pviA:
undetectable
3hrdF-4pviA:
undetectable		 3hrdA-4pviA:
22.01
3hrdE-4pviA:
22.01
3hrdF-4pviA:
21.56
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 GLU A 270
GLU A 234
TRP A  51
 MN  A 502 ( 2.5A)
MN  A 501 (-2.5A)
None
 1.16A 3hrdA-4xkmA:
undetectable
3hrdE-4xkmA:
undetectable
3hrdF-4xkmA:
undetectable		 3hrdA-4xkmA:
23.79
3hrdE-4xkmA:
23.79
3hrdF-4xkmA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1m ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		3 GLU A 281
GLU A 280
TRP A 296
 CA  A1351 (-3.0A)
None
None
 1.34A 3hrdA-5a1mA:
undetectable
3hrdE-5a1mA:
undetectable
3hrdF-5a1mA:
undetectable		 3hrdA-5a1mA:
12.50
3hrdE-5a1mA:
12.50
3hrdF-5a1mA:
14.63
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.
5b6t GLYCOSYL HYDROLASE
FAMILY 62 PROTEIN

(Coprinopsis
cinerea) 		PF03664
(Glyco_hydro_62) 		3 GLU A 276
GLU A 294
TRP A 385
 PB  A 500 (-2.4A)
None
None
 1.22A 3hrdA-5b6tA:
undetectable
3hrdE-5b6tA:
undetectable
3hrdF-5b6tA:
undetectable		 3hrdA-5b6tA:
21.43
3hrdE-5b6tA:
21.43
3hrdF-5b6tA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		3 GLU A 163
GLU A 165
TRP A 369
 None
 1.33A 3hrdA-5cd6A:
undetectable
3hrdE-5cd6A:
undetectable
3hrdF-5cd6A:
undetectable		 3hrdA-5cd6A:
20.50
3hrdE-5cd6A:
20.50
3hrdF-5cd6A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cg0 BETA-GLUCOSIDASE

(Spodoptera
frugiperda) 		PF00232
(Glyco_hydro_1) 		3 GLU A 190
GLU A 187
TRP A 371
 TRS  A 603 ( 4.9A)
TRS  A 603 (-2.7A)
None
 1.33A 3hrdA-5cg0A:
undetectable
3hrdE-5cg0A:
undetectable
3hrdF-5cg0A:
undetectable		 3hrdA-5cg0A:
21.83
3hrdE-5cg0A:
21.83
3hrdF-5cg0A:
21.43
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		3 GLU A 266
GLU A 267
TRP A 381
 None
 1.34A 3hrdA-5d9aA:
undetectable
3hrdE-5d9aA:
undetectable
3hrdF-5d9aA:
undetectable		 3hrdA-5d9aA:
20.77
3hrdE-5d9aA:
20.77
3hrdF-5d9aA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 GLU A 356
GLU A 368
TRP A 359
 None
 0.99A 3hrdA-5g2vA:
undetectable
3hrdE-5g2vA:
undetectable
3hrdF-5g2vA:
undetectable		 3hrdA-5g2vA:
21.33
3hrdE-5g2vA:
21.33
3hrdF-5g2vA:
21.93
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.
5hz5 FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Homo sapiens) 		PF00061
(Lipocalin) 		3 GLU A  99
GLU A 104
TRP A 100
 None
 1.05A 3hrdA-5hz5A:
undetectable
3hrdE-5hz5A:
undetectable
3hrdF-5hz5A:
undetectable		 3hrdA-5hz5A:
15.53
3hrdE-5hz5A:
15.53
3hrdF-5hz5A:
16.77
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 GLU A 144
GLU A 145
TRP A 141
 None
 1.29A 3hrdA-5lm8A:
undetectable
3hrdE-5lm8A:
undetectable
3hrdF-5lm8A:
undetectable		 3hrdA-5lm8A:
20.92
3hrdE-5lm8A:
20.92
3hrdF-5lm8A:
20.72
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 3 GLU A 269
GLU A 233
TRP A  50
 FE2  A 502 ( 2.3A)
FE2  A 501 (-2.2A)
None
 1.23A 3hrdA-5nhbA:
undetectable
3hrdE-5nhbA:
undetectable
3hrdF-5nhbA:
undetectable		 3hrdA-5nhbA:
21.10
3hrdE-5nhbA:
21.10
3hrdF-5nhbA:
22.90
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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 3 GLU A 312
GLU A 331
TRP A 307
 None
 1.13A 3hrdA-5o8rA:
undetectable
3hrdE-5o8rA:
undetectable
3hrdF-5o8rA:
undetectable		 3hrdA-5o8rA:
12.24
3hrdE-5o8rA:
12.24
3hrdF-5o8rA:
17.15
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 3 GLU B 223
GLU B 222
TRP B 219
 None
 1.26A 3hrdA-5op0B:
undetectable
3hrdE-5op0B:
undetectable
3hrdF-5op0B:
undetectable		 3hrdA-5op0B:
22.99
3hrdE-5op0B:
22.99
3hrdF-5op0B:
21.39
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 GLU A 320
GLU A 339
TRP A  81
 AHR  A 901 (-2.7A)
AHR  A 901 ( 2.7A)
None
 1.11A 3hrdA-5opjA:
undetectable
3hrdE-5opjA:
undetectable
3hrdF-5opjA:
undetectable		 3hrdA-5opjA:
12.40
3hrdE-5opjA:
12.40
3hrdF-5opjA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 3 GLU B 489
GLU B 541
TRP B 483
 BMA  B 706 (-4.3A)
BMA  B 706 ( 2.8A)
None
 1.32A 3hrdA-5swiB:
undetectable
3hrdE-5swiB:
undetectable
3hrdF-5swiB:
undetectable		 3hrdA-5swiB:
19.22
3hrdE-5swiB:
19.22
3hrdF-5swiB:
20.03
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.
5un0 PROTEASOME ASSEMBLY
CHAPERONE 2 (PAC2)
HOMOLOGUE RV2125

(Mycobacterium
tuberculosis) 		PF09754
(PAC2) 		3 GLU 1 219
GLU 1 213
TRP 1  43
 None
 1.35A 3hrdA-5un01:
undetectable
3hrdE-5un01:
undetectable
3hrdF-5un01:
undetectable		 3hrdA-5un01:
21.83
3hrdE-5un01:
21.83
3hrdF-5un01:
23.88
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 3 GLU C 416
GLU C 415
TRP C 443
 None
 1.18A 3hrdA-5v8fC:
undetectable
3hrdE-5v8fC:
undetectable
3hrdF-5v8fC:
undetectable		 3hrdA-5v8fC:
20.73
3hrdE-5v8fC:
20.73
3hrdF-5v8fC:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		3 GLU A 217
GLU A 181
TRP A  16
 MG  A 401 ( 2.8A)
XYL  A 402 ( 2.4A)
XYL  A 402 (-4.1A)
 1.30A 3hrdA-5y4jA:
undetectable
3hrdE-5y4jA:
undetectable
3hrdF-5y4jA:
undetectable		 3hrdA-5y4jA:
23.25
3hrdE-5y4jA:
23.25
3hrdF-5y4jA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 3 GLU A 171
GLU A 175
TRP A 129
 None
 1.20A 3hrdA-5ykdA:
undetectable
3hrdE-5ykdA:
undetectable
3hrdF-5ykdA:
undetectable		 3hrdA-5ykdA:
10.59
3hrdE-5ykdA:
10.59
3hrdF-5ykdA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ze4 DIHYDROXY-ACID
DEHYDRATASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 3 GLU A 503
GLU A 506
TRP A 544
 None
 1.31A 3hrdA-5ze4A:
0.4
3hrdE-5ze4A:
undetectable
3hrdF-5ze4A:
undetectable		 3hrdA-5ze4A:
undetectable
3hrdE-5ze4A:
undetectable
3hrdF-5ze4A:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 3 GLU A 441
GLU A 393
TRP A 548
 None
 0.89A 3hrdA-6etzA:
undetectable
3hrdE-6etzA:
undetectable
3hrdF-6etzA:
undetectable		 3hrdA-6etzA:
12.47
3hrdE-6etzA:
12.47
3hrdF-6etzA:
13.42
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.
6fc0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 GLU A 113
GLU A 115
TRP A 178
 None
 1.22A 3hrdA-6fc0A:
undetectable
3hrdE-6fc0A:
undetectable
3hrdF-6fc0A:
undetectable		 3hrdA-6fc0A:
10.84
3hrdE-6fc0A:
10.84
3hrdF-6fc0A:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
2, MITOCHONDRIAL

(Mus musculus) 		no annotation 3 GLU j  62
GLU j  63
TRP j  59
 None
 1.28A 3hrdA-6g72j:
undetectable
3hrdE-6g72j:
undetectable
3hrdF-6g72j:
undetectable		 3hrdA-6g72j:
9.62
3hrdE-6g72j:
9.62
3hrdF-6g72j:
13.23