SIMILAR PATTERNS OF AMINO ACIDS FOR 5HQA_A_ACRA705

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.
2gvk HEME PEROXIDASE

(Bacteroides
thetaiotaomicron) 		PF04261
(Dyp_perox) 		5 ARG A 213
GLU A 220
GLU A 166
LYS A 242
GLU A 160
 None
 1.24A 5hqaA-2gvkA:
0.1		 5hqaA-2gvkA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 HIS A 149
GLU A 145
HIS A 141
GLU A  29
GLU A  62
 FE  A6205 (-3.3A)
None
None
FE  A6204 (-1.9A)
FE  A6205 ( 2.5A)
 1.39A 5hqaA-2vzbA:
undetectable		 5hqaA-2vzbA:
13.17
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ARG B 105
GLU A 214
LYS A 220
GLU B 106
GLU A 109
 None
 1.36A 5hqaA-3l7zB:
0.0		 5hqaA-3l7zB:
17.72
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 GLU A 162
VAL A 127
GLU A 131
GLU A  37
GLU A  71
 FE  A 182 ( 2.6A)
None
FE  A 181 (-2.5A)
FE  A 181 (-2.4A)
FE  A 182 ( 2.5A)
 1.10A 5hqaA-3qhbA:
0.6		 5hqaA-3qhbA:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		9 GLU A 194
GLU A 391
TRP A 397
HIS A 437
LYS A 467
VAL A 471
GLU A 508
GLU A 526
GLU A 532
 NA  A 801 (-3.0A)
None
None
None
None
None
NA  A 801 (-3.8A)
NA  A 801 (-2.6A)
NA  A 801 (-2.8A)
 0.19A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 GLU A 526
TRP A 397
GLU A 532
GLU A 194
GLU A 508
 NA  A 801 (-2.6A)
None
NA  A 801 (-2.8A)
NA  A 801 (-3.0A)
NA  A 801 (-3.8A)
 1.40A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		5 ARG A 363
HIS A 185
VAL A 304
GLU A 299
GLU A 182
 CL  A 915 (-4.9A)
None
None
None
None
 1.37A 5hqaA-4obsA:
6.8		 5hqaA-4obsA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 GLU A  78
GLU A 290
LYS A  61
GLU A  75
GLU A 199
 MG  A 603 ( 2.8A)
MG  A 604 ( 2.5A)
APC  A 601 ( 3.3A)
APC  A 601 (-3.2A)
MG  A 603 ( 2.5A)
 1.22A 5hqaA-4q85A:
0.0		 5hqaA-4q85A:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		11 ARG A 171
GLU A 173
HIS A 293
GLU A 330
TRP A 336
HIS A 375
LYS A 405
VAL A 409
GLU A 456
GLU A 474
TRP A 484
 GLC  A 712 ( 2.6A)
GLC  A 712 ( 2.7A)
GLC  A 711 ( 4.0A)
GLC  A 711 (-2.7A)
None
GLC  A 711 (-4.2A)
GLC  A 711 (-2.8A)
GLC  A 712 (-4.7A)
CA  A 701 ( 3.4A)
CA  A 701 ( 2.9A)
GLC  A 713 ( 3.5A)
 0.12A 5hqaA-5hqbA:
74.2		 5hqaA-5hqbA:
99.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 TRP A  72
GLU A  88
HIS A 448
THR A 439
 None
 1.46A 5hqaA-1ac5A:
undetectable		 5hqaA-1ac5A:
19.54
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.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		4 ASN A 297
TRP A 242
PHE A 234
THR A 221
 None
None
None
EOH  A 575 ( 4.4A)
 1.45A 5hqaA-1j71A:
undetectable		 5hqaA-1j71A:
20.45
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		4 TRP A 145
TRP A  19
GLU A 144
HIS A 113
 None
 1.31A 5hqaA-1kh2A:
undetectable		 5hqaA-1kh2A:
20.83
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 PHE A 216
GLU A 176
HIS A 127
THR A 248
 None
MG  A 776 ( 4.1A)
None
None
 1.13A 5hqaA-1p31A:
3.9		 5hqaA-1p31A:
22.17
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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		4 PHE L 215
GLU L 212
HIS M 266
THR L 182
 None
U10  L 272 (-3.8A)
FE  M 302 (-3.3A)
BCL  M   1 (-3.8A)
 1.38A 5hqaA-1pssL:
undetectable		 5hqaA-1pssL:
18.36
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		4 TRP A 142
GLU A 176
HIS A  28
THR A 188
 None
 1.15A 5hqaA-1q56A:
undetectable		 5hqaA-1q56A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 TRP A 258
TRP A 269
HIS A 287
THR A 348
 None
 1.44A 5hqaA-1tz7A:
6.4		 5hqaA-1tz7A:
20.11
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.
1u2l PEROXIDASE/CATALASE
HPI

(Escherichia
coli) 		PF00141
(peroxidase) 		4 ASN A 581
TRP A 653
PHE A 663
THR A 610
 None
 1.37A 5hqaA-1u2lA:
undetectable		 5hqaA-1u2lA:
19.41
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.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		4 ASN A 282
PHE A  60
GLU A 191
THR A 239
 None
 1.36A 5hqaA-1xqwA:
undetectable		 5hqaA-1xqwA:
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.
2a2o HYPOTHETICAL PROTEIN
BT3146

(Bacteroides
thetaiotaomicron) 		no annotation 4 TRP A  43
TRP A 170
PHE A 174
THR A 234
 None
 1.38A 5hqaA-2a2oA:
undetectable		 5hqaA-2a2oA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0h MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Mytilus edulis) 		PF00150
(Cellulase) 		4 ASN A 253
PHE A 295
HIS A 277
THR A 270
 None
 1.33A 5hqaA-2c0hA:
2.1		 5hqaA-2c0hA:
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.
2dos ATAXIN-3

(Homo sapiens) 		PF02099
(Josephin) 		4 ASN A  82
TRP A 120
PHE A  75
THR A  60
 None
 1.41A 5hqaA-2dosA:
undetectable		 5hqaA-2dosA:
14.08
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 ASN A 256
PHE B 144
HIS A 868
THR A 846
 MGD  A1986 (-4.1A)
None
None
MGD  A1986 ( 4.1A)
 1.37A 5hqaA-2ivfA:
undetectable		 5hqaA-2ivfA:
20.78
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.
2jls SERINE PROTEASE
SUBUNIT NS3

(Dengue virus) 		PF07652
(Flavi_DEAD) 		4 TRP A 344
TRP A 350
GLU A 338
THR A 407
 None
 1.36A 5hqaA-2jlsA:
undetectable		 5hqaA-2jlsA:
19.73
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.
2m3t BETA-CRYSTALLIN S

(Homo sapiens) 		PF00030
(Crystall) 		4 PHE A  99
GLU A 100
HIS A 123
THR A 112
 None
 1.43A 5hqaA-2m3tA:
undetectable		 5hqaA-2m3tA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 ASN A 357
TRP A 438
PHE A 439
THR A 324
 None
 1.30A 5hqaA-2o9rA:
7.6		 5hqaA-2o9rA:
21.35
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.
2p7s AMPHINASE-2

(Rana pipiens) 		PF00074
(RnaseA) 		4 ASN A  67
TRP A   8
GLU A   7
THR A 111
 None
None
None
ACT  A 505 (-4.2A)
 1.21A 5hqaA-2p7sA:
undetectable		 5hqaA-2p7sA:
11.11
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.
2pes URICASE

(Aspergillus
flavus) 		PF01014
(Uricase) 		4 ASN A 254
PHE A 258
GLU A 259
THR A 150
 AZA  A 300 (-4.4A)
None
None
None
 1.21A 5hqaA-2pesA:
undetectable		 5hqaA-2pesA:
18.25
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASN A1549
PHE A1576
HIS A1583
THR A1427
 None
 1.26A 5hqaA-2pffA:
undetectable		 5hqaA-2pffA:
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.
2v5y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE MU

(Homo sapiens) 		PF00041
(fn3)
PF00047
(ig)
PF00629
(MAM) 		4 TRP A  28
PHE A  48
GLU A  29
THR A 117
 None
None
NAG  A1572 (-4.0A)
None
 1.26A 5hqaA-2v5yA:
3.0		 5hqaA-2v5yA:
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.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		4 TRP A 344
TRP A 350
GLU A 338
THR A 407
 None
 1.28A 5hqaA-2whxA:
undetectable		 5hqaA-2whxA:
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.
2wkw CARBOXYLESTERASE

(Alcaligenes sp.) 		no annotation 4 ASN A 189
PHE A  21
HIS A  69
THR A  46
 None
 1.29A 5hqaA-2wkwA:
undetectable		 5hqaA-2wkwA:
18.15
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 ASN A 634
PHE A 422
GLU A 474
THR A 639
 None
 1.03A 5hqaA-2x2iA:
4.8		 5hqaA-2x2iA:
20.69
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ASN A 101
GLU A 249
HIS A 250
THR A 206
 None
 1.37A 5hqaA-2zciA:
undetectable		 5hqaA-2zciA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 TRP A 353
PHE A 343
GLU A 345
THR A 209
 None
 1.05A 5hqaA-3al8A:
2.8		 5hqaA-3al8A:
20.91
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.
3c07 PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 ASN A 120
PHE A 113
GLU A 112
THR A  41
 None
 1.43A 5hqaA-3c07A:
undetectable		 5hqaA-3c07A:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		4 TRP A 251
PHE A 191
HIS A 248
THR A 137
 None
 1.13A 5hqaA-3czqA:
undetectable		 5hqaA-3czqA:
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.
3dc6 SUPEROXIDE DISMUTASE
[MN] 1

(Caenorhabditis
elegans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ASN A  73
PHE A  66
HIS A   2
THR A 149
 None
None
SO4  A 200 (-4.0A)
None
 1.32A 5hqaA-3dc6A:
undetectable		 5hqaA-3dc6A:
14.97
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TRP A1380
PHE A1337
HIS A1352
THR A1257
 None
 1.46A 5hqaA-3ecqA:
9.9		 5hqaA-3ecqA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TRP A1380
PHE A1337
HIS A1352
THR A1288
 None
 1.36A 5hqaA-3ecqA:
9.9		 5hqaA-3ecqA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 TRP A 712
PHE A 710
HIS A 604
THR A 900
 None
 1.07A 5hqaA-3egwA:
undetectable		 5hqaA-3egwA:
18.45
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.
3epd POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 ASN R 147
PHE R 228
GLU R 226
THR R 235
 None
 1.40A 5hqaA-3epdR:
undetectable		 5hqaA-3epdR:
15.11
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		4 ASN A 171
TRP A  93
PHE A 202
THR A 168
 None
 1.45A 5hqaA-3i6uA:
undetectable		 5hqaA-3i6uA:
19.79
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 TRP A  23
PHE A  32
GLU A  28
HIS A 116
THR A 100
 None
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
None
NDP  A 163 (-2.9A)
 1.43A 5hqaA-3ia4A:
undetectable		 5hqaA-3ia4A:
12.86
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 TRP A1489
TRP A1399
GLU A1402
THR A1464
 None
 1.30A 5hqaA-3jb9A:
undetectable		 5hqaA-3jb9A:
14.34
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASN A 395
PHE A 381
HIS A 298
THR A 461
 None
 1.44A 5hqaA-3k1dA:
15.9		 5hqaA-3k1dA:
22.46
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		4 ASN A 144
GLU A 178
HIS A 136
THR A  83
 PO4  A 305 (-4.5A)
None
MN  A 302 (-3.5A)
None
 1.41A 5hqaA-3lhlA:
undetectable		 5hqaA-3lhlA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lss SERYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 TRP A 331
GLU A 329
HIS A 420
THR A 425
 None
None
None
ATP  A 501 (-3.7A)
 1.32A 5hqaA-3lssA:
undetectable		 5hqaA-3lssA:
19.02
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 PHE A  75
GLU A  14
HIS A  56
THR A 119
 SO4  A 225 (-4.5A)
None
CL  A 224 (-4.3A)
SO4  A 228 (-3.4A)
 1.44A 5hqaA-3m33A:
undetectable		 5hqaA-3m33A:
14.46
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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		4 TRP A 254
GLU A 252
HIS A  81
THR A  64
 None
 1.26A 5hqaA-3md0A:
undetectable		 5hqaA-3md0A:
20.65
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 TRP A 348
GLU A 202
HIS A 204
THR A 188
 None
 1.42A 5hqaA-3mm5A:
undetectable		 5hqaA-3mm5A:
21.14
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.
3o3o ALPHA-SUBUNIT
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		4 ASN A 210
TRP A 268
PHE A 215
THR A 277
 None
 1.04A 5hqaA-3o3oA:
2.4		 5hqaA-3o3oA:
20.96
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		4 ASN A 308
PHE A 328
GLU A 330
THR A 282
 None
 1.35A 5hqaA-3o6xA:
undetectable		 5hqaA-3o6xA:
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TRP A 419
PHE A 427
HIS A 363
THR A 267
 None
 1.04A 5hqaA-3popA:
undetectable		 5hqaA-3popA:
20.69
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 ASN A 220
PHE A 205
HIS A 289
THR A  86
 None
 1.47A 5hqaA-3q6vA:
undetectable		 5hqaA-3q6vA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		4 TRP A 494
TRP A 502
HIS A 417
THR A 466
 None
 1.31A 5hqaA-3rm5A:
undetectable		 5hqaA-3rm5A:
21.72
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.
3s7w EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
nitratireducens) 		PF02335
(Cytochrom_C552) 		4 TRP A 329
GLU A 365
HIS A 300
THR A 289
 None
None
HEC  A1006 (-3.2A)
None
 1.47A 5hqaA-3s7wA:
undetectable		 5hqaA-3s7wA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		4 PHE A 472
GLU A 430
HIS A  28
THR A 454
 None
 1.46A 5hqaA-3tcmA:
2.0		 5hqaA-3tcmA:
21.90
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.
3tk1 MEMBRANE
ATPASE/PROTEIN
KINASE

(Mycolicibacterium
thermoresistibile) 		PF03308
(ArgK) 		4 TRP A 248
GLU A 246
HIS A  75
THR A  58
 None
 1.33A 5hqaA-3tk1A:
undetectable		 5hqaA-3tk1A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASN A 160
PHE A 167
HIS A 157
THR A 202
 None
 1.35A 5hqaA-3uj2A:
3.5		 5hqaA-3uj2A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 4 TRP A 220
PHE A 200
GLU A 206
THR A 102
 None
 1.38A 5hqaA-3wdyA:
undetectable		 5hqaA-3wdyA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		6 ASN A 216
TRP A 331
TRP A 341
TRP A 400
GLU A 439
HIS A 507
 None
 0.68A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ASN A 216
TRP A 400
PHE A 401
GLU A 439
HIS A 507
 None
 1.46A 5hqaA-3wfaA:
54.6		 5hqaA-3wfaA:
41.26
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.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		4 ASN A 417
TRP A 500
PHE A 501
THR A 384
 None
 1.40A 5hqaA-3wq4A:
6.6		 5hqaA-3wq4A:
21.54
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.
4eps HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF13149
(Mfa_like_1) 		4 TRP A 141
PHE A 134
HIS A 181
THR A  90
 GOL  A 610 (-3.9A)
None
None
None
 1.33A 5hqaA-4epsA:
undetectable		 5hqaA-4epsA:
22.64
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.
4f67 UPF0176 PROTEIN
LPG2838

(Legionella
pneumophila) 		PF00581
(Rhodanese) 		4 PHE A 121
GLU A 117
HIS A 202
THR A 142
 None
 1.24A 5hqaA-4f67A:
undetectable		 5hqaA-4f67A:
16.59
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.
4fc2 POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Mus musculus) 		PF05028
(PARG_cat) 		4 TRP A 863
GLU A 837
HIS A 770
THR A 691
 None
 1.38A 5hqaA-4fc2A:
undetectable		 5hqaA-4fc2A:
20.12
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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 ASN A 136
TRP A 404
HIS A 286
THR A 557
 None
EDO  A 602 ( 4.1A)
None
None
 1.22A 5hqaA-4g0rA:
undetectable		 5hqaA-4g0rA:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 PHE A 217
GLU A 177
HIS A 128
THR A 249
 None
None
AMP  A 501 (-4.6A)
None
 1.04A 5hqaA-4hv4A:
2.7		 5hqaA-4hv4A:
22.16
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 4 ASN A 307
PHE A 385
HIS A 622
THR A 245
 None
 1.44A 5hqaA-4iegA:
undetectable		 5hqaA-4iegA:
23.01
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		4 PHE A 515
GLU A 254
HIS A 359
THR A 328
 None
None
None
FAD  A 601 (-4.8A)
 1.25A 5hqaA-4iv9A:
undetectable		 5hqaA-4iv9A:
20.20
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 TRP A  51
PHE A 112
GLU A 146
THR A  35
 None
 1.38A 5hqaA-4kp2A:
undetectable		 5hqaA-4kp2A:
21.28
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TRP A1105
TRP A1099
PHE A1193
GLU A1107
 None
None
P0G  A1401 (-3.8A)
None
 1.29A 5hqaA-4ldeA:
undetectable		 5hqaA-4ldeA:
21.96
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		4 ASN A 300
TRP A 359
PHE A 354
THR A 275
 None
 1.26A 5hqaA-4n0qA:
undetectable		 5hqaA-4n0qA:
21.19
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.
4nvs PUTATIVE ENZYME,
GLYOXALASE FAMILY

(Clostridioides
difficile) 		PF12681
(Glyoxalase_2) 		4 PHE A  72
GLU A  69
HIS A  94
THR A  79
 None
 1.29A 5hqaA-4nvsA:
undetectable		 5hqaA-4nvsA:
13.00
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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		4 TRP A 152
TRP A  24
GLU A 151
HIS A 120
 None
 1.34A 5hqaA-4nzpA:
undetectable		 5hqaA-4nzpA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmm PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF03061
(4HBT) 		4 ASN A  81
TRP A 127
PHE A  44
THR A 113
 None
 1.27A 5hqaA-4rmmA:
undetectable		 5hqaA-4rmmA:
12.17
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A 414
GLU A 325
HIS A 363
THR A  31
 None
 1.36A 5hqaA-4rvwA:
undetectable		 5hqaA-4rvwA:
23.34
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.
4y61 SLIT AND NTRK-LIKE
PROTEIN 2

(Mus musculus) 		PF13855
(LRR_8) 		4 ASN B 144
PHE B 130
HIS B  92
THR B  75
 None
 1.37A 5hqaA-4y61B:
undetectable		 5hqaA-4y61B:
15.99
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.
4yet SUPEROXIDE DISMUTASE

(Babesia bovis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 160
TRP A 125
HIS A  74
THR A  61
 None
None
FE  A 300 (-3.3A)
None
 1.11A 5hqaA-4yetA:
undetectable		 5hqaA-4yetA:
13.88
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 ASN A 241
PHE A 387
HIS A 119
THR A 303
 None
 1.24A 5hqaA-4yycA:
6.5		 5hqaA-4yycA:
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.
4zb6 PCURE2P4

(Phanerochaete
chrysosporium) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASN A 177
TRP A 160
TRP A 107
PHE A 110
 None
 1.35A 5hqaA-4zb6A:
undetectable		 5hqaA-4zb6A:
16.27
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 TRP A 323
PHE A 321
HIS A 261
THR A 245
 None
None
C6L  A 403 (-3.8A)
None
 1.44A 5hqaA-4zo3A:
undetectable		 5hqaA-4zo3A:
17.61
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.
5a1n BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00043
(GST_C) 		4 ASN A 131
TRP A 150
PHE A 151
THR A  96
 None
 1.19A 5hqaA-5a1nA:
undetectable		 5hqaA-5a1nA:
14.48
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TRP A1380
PHE A1337
HIS A1352
THR A1257
 None
 1.40A 5hqaA-5a55A:
9.1		 5hqaA-5a55A:
22.12
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TRP A1380
PHE A1337
HIS A1352
THR A1288
 None
 1.35A 5hqaA-5a55A:
9.1		 5hqaA-5a55A:
22.12
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 TRP A 175
GLU A 528
HIS A 533
THR A  99
 None
LSS  A1818 (-2.9A)
LSS  A1818 (-3.6A)
None
 1.47A 5hqaA-5ah5A:
undetectable		 5hqaA-5ah5A:
21.54
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Streptomyces
viridosporus;
Sulfolobus
solfataricus) 		no annotation 4 ASN A   8
TRP A  45
PHE A  41
GLU A  44
 None
 1.38A 5hqaA-5b0lA:
undetectable		 5hqaA-5b0lA:
18.06
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT
HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		PF02239
(Cytochrom_D1)
no annotation 		4 ASN B 284
PHE A 349
GLU A 306
THR A 319
 None
 1.46A 5hqaA-5c2vB:
4.0		 5hqaA-5c2vB:
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 ASN A 467
TRP A 589
HIS A 535
THR A 330
 None
 1.21A 5hqaA-5c70A:
8.6		 5hqaA-5c70A:
22.56
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 TRP A 388
GLU A 385
HIS A 261
THR A 272
 None
 1.42A 5hqaA-5d9aA:
undetectable		 5hqaA-5d9aA:
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.
5e3c DIPEPTIDYL PEPTIDASE
3

(Homo sapiens) 		PF03571
(Peptidase_M49) 		4 ASN A 545
TRP A 564
HIS A 568
THR A 425
 None
 1.40A 5hqaA-5e3cA:
undetectable		 5hqaA-5e3cA:
20.19
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		4 TRP X  96
PHE X  94
HIS X  63
THR X 172
 None
 1.38A 5hqaA-5eztX:
undetectable		 5hqaA-5eztX:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		8 ASN A 170
TRP A 289
TRP A 299
TRP A 340
PHE A 341
GLU A 377
HIS A 455
THR A 486
 GLC  A 712 (-3.2A)
GLC  A 711 (-4.1A)
GLC  A 711 (-4.5A)
GLC  A 711 (-4.8A)
GOL  A 706 (-3.5A)
GLC  A 711 (-3.7A)
GLC  A 711 (-3.7A)
None
 0.17A 5hqaA-5hqbA:
74.2		 5hqaA-5hqbA:
99.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hyz GRAS FAMILY
TRANSCRIPTION FACTOR
CONTAINING PROTEIN,
EXPRESSED

(Oryza sativa) 		PF03514
(GRAS) 		4 ASN A 409
TRP A 517
HIS A 416
THR A 299
 None
 1.47A 5hqaA-5hyzA:
2.5		 5hqaA-5hyzA:
19.79
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ASN A 100
GLU A 248
HIS A 249
THR A 205
 None
None
MN  A 705 (-4.5A)
None
 1.35A 5hqaA-5i67A:
undetectable		 5hqaA-5i67A:
23.16
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 PHE A 152
GLU A 201
HIS A 545
THR A 129
 None
 1.43A 5hqaA-5iojA:
undetectable		 5hqaA-5iojA:
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 ASN A 603
TRP A 675
PHE A 685
THR A 632
 None
 1.37A 5hqaA-5kqiA:
undetectable		 5hqaA-5kqiA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 TRP A 337
PHE A 416
HIS A 406
THR A 329
 None
 1.38A 5hqaA-5kqiA:
undetectable		 5hqaA-5kqiA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 ASN A 344
GLU A 420
HIS A 438
THR A 373
 BCT  A 603 (-4.0A)
None
None
None
 1.29A 5hqaA-5lhkA:
undetectable		 5hqaA-5lhkA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		4 ASN A 288
TRP A 229
PHE A 136
HIS A 274
 None
 1.29A 5hqaA-5lrbA:
undetectable		 5hqaA-5lrbA:
21.07
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 4 ASN C 262
GLU C 243
HIS C 245
THR C 254
 None
 1.33A 5hqaA-5o4gC:
undetectable		 5hqaA-5o4gC:
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.
5umx GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE

(Streptomyces
sp. CB03234) 		no annotation 4 ASN A 112
TRP A  42
PHE A   9
THR A  62
 None
 1.28A 5hqaA-5umxA:
undetectable		 5hqaA-5umxA:
8.32
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.
5vvw UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		4 PHE A 213
GLU A 173
HIS A 124
THR A 245
 None
 0.97A 5hqaA-5vvwA:
undetectable		 5hqaA-5vvwA:
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 TRP A  43
GLU A  41
HIS A  58
THR A 357
 None
 1.44A 5hqaA-5w8oA:
undetectable		 5hqaA-5w8oA:
19.14
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 4 ASN A 323
GLU A 165
HIS A 195
THR A  15
 None
8S0  A 402 (-2.8A)
8S0  A 402 ( 3.9A)
NAI  A 401 (-4.0A)
 1.36A 5hqaA-5yapA:
undetectable		 5hqaA-5yapA:
8.14
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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 4 PHE A 220
GLU A 180
HIS A 131
THR A 252
 None
MG  A 503 ( 4.5A)
ANP  A 501 (-4.3A)
None
 1.02A 5hqaA-6cauA:
undetectable		 5hqaA-6cauA:
7.48
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 ASN L  93
TRP L  54
GLU L  77
THR L 100
 None
 1.36A 5hqaA-6ehsL:
undetectable		 5hqaA-6ehsL:
7.26
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.
6ep3 -

(-) 		no annotation 4 ASN A 168
GLU A  18
HIS A 162
THR A 124
 None
 1.23A 5hqaA-6ep3A:
undetectable		 5hqaA-6ep3A:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASN A  44
TRP A 644
GLU A 595
THR A 628
 None
None
CA  A 801 (-2.9A)
None
 1.43A 5hqaA-6f8zA:
7.5		 5hqaA-6f8zA:
8.70