SIMILAR PATTERNS OF AMINO ACIDS FOR 4OBW_C_SAMC601

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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ASN A 211
GLY A 174
ASP A 209
GLY A  85
ARG A 382
 None
FMN  A 751 (-3.2A)
None
None
None
 1.29A 4obwC-1amoA:
3.4		 4obwC-1amoA:
18.63
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A 188
SER A  83
ILE A 163
GLY A 341
ARG A 392
 None
 1.24A 4obwC-1aorA:
undetectable		 4obwC-1aorA:
19.31
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 ASN A  38
GLY A 225
ILE A 265
GLY A 264
ARG A  32
 IMO  A 440 (-4.0A)
None
None
None
None
 1.19A 4obwC-1cg4A:
2.3		 4obwC-1cg4A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		5 SER A 314
ASP A 324
ASN A 317
GLY A 243
PHE A 297
 None
 0.96A 4obwC-1d2kA:
undetectable		 4obwC-1d2kA:
21.30
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.
1f1m OUTER SURFACE
PROTEIN C

(Borreliella
burgdorferi) 		PF01441
(Lipoprotein_6) 		5 GLY A  94
SER A  98
ILE A  76
GLY A  77
ASN A 154
 None
 1.25A 4obwC-1f1mA:
undetectable		 4obwC-1f1mA:
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A  97
ILE A  93
GLY A 197
SER A  28
PHE A 199
 CIT  A 501 (-3.1A)
None
None
None
None
 1.26A 4obwC-1m0sA:
undetectable		 4obwC-1m0sA:
22.59
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.
1odf HYPOTHETICAL 33.3
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 274
SER A 283
ASN A 280
GLY A  43
ASN A 216
 None
None
None
SO4  A 501 (-3.2A)
None
 0.98A 4obwC-1odfA:
3.3		 4obwC-1odfA:
21.47
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		5 GLY A  18
ILE A 185
GLY A 184
ARG A 137
ASN A 159
 None
 1.20A 4obwC-1op2A:
undetectable		 4obwC-1op2A:
21.16
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.
1r4y RIBONUCLEASE
ALPHA-SARCIN

(Aspergillus
giganteus) 		no annotation 5 ASP A  91
ILE A 109
GLY A 119
SER A  18
PHE A 117
 None
 1.26A 4obwC-1r4yA:
undetectable		 4obwC-1r4yA:
20.95
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.
1szn ALPHA-GALACTOSIDASE

(Trichoderma
reesei) 		PF16499
(Melibiase_2) 		5 GLY A 317
GLY A 344
SER A 314
ASN A 311
PHE A 310
 NAG  A 701 ( 4.3A)
None
BMA  A 705 ( 4.6A)
None
None
 1.26A 4obwC-1sznA:
undetectable		 4obwC-1sznA:
19.37
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.
1ukf AVIRULENCE PROTEIN
AVRPPH3

(Pseudomonas
savastanoi) 		PF03543
(Peptidase_C58) 		5 ILE A  97
ASN A  96
GLY A 131
SER A 158
ASN A 139
 None
 1.14A 4obwC-1ukfA:
undetectable		 4obwC-1ukfA:
24.62
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 296
ASP A 189
ILE A 290
ASN A 182
SER A 299
 None
 1.29A 4obwC-1wd3A:
undetectable		 4obwC-1wd3A:
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.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 ASN A 195
GLY A 214
ILE A 137
ASN A 138
GLY A 210
 None
GUN  A 400 (-3.5A)
None
None
None
 0.92A 4obwC-1yqqA:
undetectable		 4obwC-1yqqA:
21.10
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 GLY A 145
ASP A 222
ILE A 115
ASN A 121
GLY A 242
 None
 1.19A 4obwC-1zbsA:
undetectable		 4obwC-1zbsA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		5 SER A 129
ILE A 219
GLY A 221
SER A  19
ASN A  67
 ACT  A1313 ( 4.9A)
None
FMN  A1312 (-3.6A)
FMN  A1312 (-3.3A)
FMN  A1312 (-3.7A)
 1.29A 4obwC-2bx7A:
undetectable		 4obwC-2bx7A:
23.19
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR
NONSPECIFIC
LIPID-TRANSFER
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16)
PF02036
(SCP2) 		5 GLY B 139
ILE A 567
GLY A 563
ARG A 608
PHE A 579
 None
 1.13A 4obwC-2c0lB:
undetectable		 4obwC-2c0lB:
18.68
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.
2cfv HUMAN PROTEIN
TYROSINE PHOSPHATASE
RECEPTOR TYPE J

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1242
ILE A1110
ASN A1098
SER A1240
PHE A1123
 None
 1.24A 4obwC-2cfvA:
undetectable		 4obwC-2cfvA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 397
ILE A  73
ASN A  74
SER A  33
PHE A 123
 FAD  A1000 (-2.7A)
None
FAD  A1000 ( 3.2A)
FAD  A1000 (-2.6A)
None
 1.17A 4obwC-2fjaA:
undetectable		 4obwC-2fjaA:
17.85
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 GLY A 105
SER A 107
GLY A 146
SER A 229
PHE A 148
 None
 1.16A 4obwC-2gupA:
undetectable		 4obwC-2gupA:
21.52
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 GLY A  79
ILE A 112
GLY A  58
ARG A 201
PHE A 203
 None
 1.08A 4obwC-2i3oA:
undetectable		 4obwC-2i3oA:
18.67
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.
2iew INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Saccharomyces
cerevisiae) 		PF03770
(IPK) 		5 ASN A 340
SER A 155
ILE A 167
GLY A 169
SER A 256
 None
 1.14A 4obwC-2iewA:
undetectable		 4obwC-2iewA:
23.58
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.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		5 GLY A  41
ILE A  10
ASN A 130
GLY A   8
SER A  20
 None
 1.05A 4obwC-2ifwA:
undetectable		 4obwC-2ifwA:
21.65
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.
2m4l PROTEIN BT_0846

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A  14
SER A  28
ILE A  79
GLY A  81
ASN A  10
 None
 1.04A 4obwC-2m4lA:
undetectable		 4obwC-2m4lA:
16.80
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.
2mvb UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 TYR A 153
ASN A 148
GLY A 141
ILE A  58
PHE A 121
 None
 1.28A 4obwC-2mvbA:
undetectable		 4obwC-2mvbA:
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.
2oh1 ACETYLTRANSFERASE,
GNAT FAMILY

(Listeria
monocytogenes) 		no annotation 5 TYR A 154
ILE A 144
ASN A 147
GLY A 167
SER A 162
 None
 1.14A 4obwC-2oh1A:
undetectable		 4obwC-2oh1A:
21.09
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.
2pgc UNCHARACTERIZED
PROTEIN

(uncultured
marine organism) 		no annotation 5 GLY A  54
ILE A 203
ASN A 201
GLY A  45
SER A  13
 None
 1.27A 4obwC-2pgcA:
undetectable		 4obwC-2pgcA:
23.40
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 ASN A 229
SER A  76
ASP A 313
ASN A  99
ASN A 155
 None
 1.30A 4obwC-2qzuA:
undetectable		 4obwC-2qzuA:
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 GLY A  92
ILE A 356
GLY A 358
ARG A 374
ASN A 375
 None
 1.05A 4obwC-2vunA:
undetectable		 4obwC-2vunA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 ASN A  58
GLY A 198
SER A 196
ILE A 192
GLY A 190
 FAD  A 700 (-4.2A)
None
SO4  A1543 (-4.6A)
None
None
 1.07A 4obwC-2ylzA:
undetectable		 4obwC-2ylzA:
18.65
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.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 ASN A 149
GLY A  41
ASP A  82
ILE A  77
SER A 230
 None
None
AKG  A 276 (-2.9A)
None
AKG  A 276 (-2.7A)
 1.17A 4obwC-2ze3A:
undetectable		 4obwC-2ze3A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLY A 162
ASP A 353
ILE A 171
GLY A 177
SER A 181
 None
None
None
None
FAD  A 618 (-3.3A)
 1.13A 4obwC-2zxhA:
undetectable		 4obwC-2zxhA:
19.15
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		5 ASN A  48
GLY A  55
SER A  54
ILE A  73
GLY A   4
 None
 1.09A 4obwC-3alyA:
undetectable		 4obwC-3alyA:
20.00
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 TYR A 178
GLY A 180
SER A 182
ILE A 190
GLY A 191
 None
 1.30A 4obwC-3anyA:
undetectable		 4obwC-3anyA:
19.30
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 521
GLY A 502
SER A 498
ASN A 428
PHE A 425
 None
 1.11A 4obwC-3bmwA:
undetectable		 4obwC-3bmwA:
17.80
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.
3d1l PUTATIVE NADP
OXIDOREDUCTASE
BF3122

(Bacteroides
fragilis) 		PF03807
(F420_oxidored)
PF10728
(DUF2520) 		5 GLY A 115
SER A 141
ASP A 145
ASN A 105
GLY A 100
 None
 1.21A 4obwC-3d1lA:
4.8		 4obwC-3d1lA:
20.74
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.
3d1l PUTATIVE NADP
OXIDOREDUCTASE
BF3122

(Bacteroides
fragilis) 		PF03807
(F420_oxidored)
PF10728
(DUF2520) 		5 GLY A 115
SER A 141
ASP A 145
ILE A 102
GLY A 100
 None
 1.10A 4obwC-3d1lA:
4.8		 4obwC-3d1lA:
20.74
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.
3fid PUTATIVE OUTER
MEMBRANE PROTEIN
(LPXR)

(Salmonella
enterica) 		PF09982
(DUF2219) 		5 GLY A  31
ASP A  29
ILE A  59
SER A 286
ASN A   9
 None
ZN  A 300 (-2.1A)
None
None
GOL  A 303 ( 3.1A)
 1.20A 4obwC-3fidA:
undetectable		 4obwC-3fidA:
19.08
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.
3gwf CYCLOHEXANONE
MONOOXYGENASE

(Rhodococcus sp.
HI-31) 		PF00743
(FMO-like) 		5 ASN A  51
GLY A 190
SER A 188
ILE A 184
GLY A 182
 FAD  A 541 (-4.1A)
None
NAP  A 542 (-2.9A)
NAP  A 542 (-4.7A)
None
 1.21A 4obwC-3gwfA:
2.5		 4obwC-3gwfA:
17.77
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 GLY X 407
ASP X 217
ILE X 225
GLY X 410
ARG X 447
 None
None
GLC  X 500 ( 4.1A)
None
None
 1.28A 4obwC-3h1vX:
undetectable		 4obwC-3h1vX:
19.30
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.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		5 GLY A1121
ILE A 989
ASN A 977
SER A1119
PHE A1002
 None
 1.21A 4obwC-3i36A:
undetectable		 4obwC-3i36A:
22.07
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 ASN 1 343
GLY 1  99
SER 1 295
ILE 1 254
GLY 1 262
 None
FES  2 182 ( 4.8A)
None
None
None
 1.07A 4obwC-3i9v1:
undetectable		 4obwC-3i9v1:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASP A 318
ILE A 100
GLY A  99
SER A 321
PHE A 328
 None
 1.16A 4obwC-3k5pA:
5.1		 4obwC-3k5pA:
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.
3kw0 CYSTEINE PEPTIDASE

(Bacillus cereus) 		PF05708
(Peptidase_C92) 		5 GLY A 119
SER A 121
ASN A 114
GLY A  24
PHE A 162
 None
 1.24A 4obwC-3kw0A:
undetectable		 4obwC-3kw0A:
25.00
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.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 290
ILE A 371
ASN A 370
GLY A  62
SER A 288
 None
 1.24A 4obwC-3mcxA:
undetectable		 4obwC-3mcxA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 207
ASP A 359
ILE A 160
GLY A 125
PHE A 126
 None
None
FAD  A 400 (-4.4A)
None
FAD  A 400 ( 4.7A)
 1.28A 4obwC-3mpiA:
undetectable		 4obwC-3mpiA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		5 GLY A 864
ASP B 742
ASN A 655
GLY A 735
ASN A 609
 None
 1.24A 4obwC-3o8oA:
undetectable		 4obwC-3o8oA:
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 GLY A 300
ASP A  53
ILE A 291
GLY A 287
ASN A 244
 None
None
None
None
EDO  A   3 (-3.5A)
 1.30A 4obwC-3s5nA:
undetectable		 4obwC-3s5nA:
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ILE A 185
GLY A 184
ARG A 137
ASN A 159
 None
 1.13A 4obwC-3s9bA:
undetectable		 4obwC-3s9bA:
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 SER A  82
ASP A  85
ASN A 113
GLY A 118
SER A 137
 None
 1.27A 4obwC-3sdqA:
undetectable		 4obwC-3sdqA:
14.66
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ASN A 126
GLY A  35
ASP A 167
GLY A  83
SER A 122
 None
 0.99A 4obwC-3t8iA:
3.6		 4obwC-3t8iA:
21.09
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.
3u2p RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 GLY A 399
ILE A 337
ASN A 338
SER A 408
ASN A 340
 None
 1.29A 4obwC-3u2pA:
undetectable		 4obwC-3u2pA:
18.66
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.
3u7b ENDO-1,4-BETA-XYLANA
SE

(Fusarium
oxysporum) 		PF00331
(Glyco_hydro_10) 		5 GLY A 286
ILE A  32
GLY A  28
SER A 292
PHE A 311
 None
 1.01A 4obwC-3u7bA:
2.3		 4obwC-3u7bA:
18.77
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 GLY A 399
ILE A 337
ASN A 338
SER A 408
ASN A 340
 None
 1.27A 4obwC-3u7uA:
undetectable		 4obwC-3u7uA:
18.26
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 ASN A  63
GLY A 203
SER A 201
ILE A 197
GLY A 195
 FAD  A1552 (-4.4A)
None
NAP  A1553 (-2.9A)
None
None
 1.04A 4obwC-4ap3A:
undetectable		 4obwC-4ap3A:
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 215
ASP A 548
ILE A 189
GLY A 512
PHE A 537
 None
 1.24A 4obwC-4az7A:
undetectable		 4obwC-4az7A:
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.
4d5r A49

(Vaccinia virus) 		PF06489
(Orthopox_A49R) 		5 GLY A 134
SER A 135
ILE A  47
ASN A  44
ASN A  49
 None
 1.19A 4obwC-4d5rA:
undetectable		 4obwC-4d5rA:
23.75
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.
4dbh 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Corynebacterium
glutamicum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 GLY A 141
ASP A 179
ILE A 123
GLY A 231
PHE A  37
 None
 1.14A 4obwC-4dbhA:
undetectable		 4obwC-4dbhA:
24.84
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.
4e7n SNAKE-VENOM
THROMBIN-LIKE ENZYME

(Gloydius halys) 		PF00089
(Trypsin) 		5 GLY A  18
ILE A 185
GLY A 184
ARG A 137
ASN A 159
 None
 1.17A 4obwC-4e7nA:
undetectable		 4obwC-4e7nA:
17.47
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.
4gct NUCLEOID OCCLUSION
FACTOR SLMA

(Vibrio cholerae) 		PF00440
(TetR_N) 		5 GLY A  26
SER A  23
ILE A 106
GLY A 109
SER A  28
 None
 0.97A 4obwC-4gctA:
undetectable		 4obwC-4gctA:
23.11
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A 241
ASN A 226
GLY A 233
SER A 185
PHE A 192
 None
 1.29A 4obwC-4hdsA:
undetectable		 4obwC-4hdsA:
22.69
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		5 ASN A  67
GLY A 109
ILE A 280
GLY A 300
ASN A 276
 None
 1.23A 4obwC-4icqA:
2.9		 4obwC-4icqA:
18.48
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 ASN A 265
SER A  52
ASP A 291
ILE A  17
ASN A  19
 None
None
None
None
CL  A 402 (-4.7A)
 1.29A 4obwC-4kemA:
undetectable		 4obwC-4kemA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 GLY A 124
ASP A 121
ILE A 131
ASN A 200
GLY A 133
 None
 1.16A 4obwC-4kpgA:
undetectable		 4obwC-4kpgA:
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 GLY A 124
ASP A 121
ILE A 131
ASN A 200
GLY A 133
 None
 1.21A 4obwC-4m1zA:
undetectable		 4obwC-4m1zA:
21.22
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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLY A 470
ASP A 495
ILE A 463
ASN A 442
GLY A 467
 None
 0.98A 4obwC-4o4xA:
undetectable		 4obwC-4o4xA:
19.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		12 TYR A  78
ASN A  82
GLY A 120
SER A 122
ASP A 124
ILE A 149
ASN A 150
GLY A 180
SER A 197
ARG A 201
ASN A 202
PHE A 203
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
SAM  A 602 (-3.4A)
SAM  A 602 (-3.1A)
None
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 (-3.5A)
SAM  A 602 (-2.9A)
None
SAM  A 602 ( 4.9A)
SAM  A 602 (-3.9A)
 0.40A 4obwC-4obwA:
40.4		 4obwC-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		8 TYR A  78
ASN A  82
GLY A 121
SER A 122
ASP A 124
ILE A 149
GLY A 180
ASN A 202
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
None
SAM  A 602 (-3.1A)
None
SAM  A 602 (-3.8A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
 1.19A 4obwC-4obwA:
40.4		 4obwC-4obwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qed ELXO

(Staphylococcus
epidermidis) 		PF13561
(adh_short_C2) 		5 GLY A 154
SER A 140
ILE A 113
SER A 150
PHE A 105
 None
NAP  A 300 ( 3.9A)
None
None
None
 1.28A 4obwC-4qedA:
6.3		 4obwC-4qedA:
23.59
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.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 5 ASN A 248
GLY A 277
SER A 278
ILE A 273
GLY A  15
 None
3S4  A 402 ( 4.8A)
None
None
3S4  A 402 (-3.6A)
 1.21A 4obwC-4rkzA:
undetectable		 4obwC-4rkzA:
24.02
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.
4rsm PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ASN A 306
GLY A 250
ASN A 256
GLY A 228
SER A 267
 None
 1.26A 4obwC-4rsmA:
2.4		 4obwC-4rsmA:
23.17
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.
4tpv PLATELET INHIBITOR

(Ancylostoma
caninum) 		PF00188
(CAP) 		5 TYR A 139
ILE A 111
ASN A 110
SER A 118
PHE A  32
 None
 1.21A 4obwC-4tpvA:
undetectable		 4obwC-4tpvA:
19.75
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.
4wem ANTI-F4+ETEC
BACTERIA VHH
VARIABLE REGION

(Lama glama) 		PF07686
(V-set) 		5 GLY B 901
SER B 898
ILE B 851
GLY B 855
ASN B 858
 None
 1.24A 4obwC-4wemB:
undetectable		 4obwC-4wemB:
16.34
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.
4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASN A 110
GLY A 312
ILE A 190
GLY A 216
PHE A 214
 None
SCY  A 113 ( 3.1A)
None
None
None
 1.23A 4obwC-4x0oA:
undetectable		 4obwC-4x0oA:
22.86
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.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 TYR A 364
GLY A 268
SER A 266
ILE A 271
GLY A 313
 None
 1.27A 4obwC-4xhjA:
undetectable		 4obwC-4xhjA:
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		5 TYR K 862
GLY K 866
ASP K 864
ILE K 823
SER K 846
 None
 1.28A 4obwC-5anbK:
undetectable		 4obwC-5anbK:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 216
ILE A 220
ASN A 219
GLY A 210
PHE A 242
 None
 1.22A 4obwC-5e84A:
undetectable		 4obwC-5e84A:
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 ASN A 311
GLY A 343
ILE A 419
GLY A 467
SER A 313
 None
5SV  A 701 (-3.8A)
None
None
5SV  A 701 (-4.6A)
 1.21A 4obwC-5ey9A:
undetectable		 4obwC-5ey9A:
17.52
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 392
SER A 375
ASP A 371
GLY A  95
SER A 390
 None
 1.21A 4obwC-5fkcA:
undetectable		 4obwC-5fkcA:
18.20
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		5 GLY A 441
SER A 439
ASP A 437
ILE A 510
PHE A 179
 None
None
None
BR  A1592 ( 4.9A)
None
 1.24A 4obwC-5fqeA:
undetectable		 4obwC-5fqeA:
17.37
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.
5fya PATATIN-LIKE
PROTEIN, PLPD

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 ASN A 234
GLY A 208
SER A  60
ILE A 168
GLY A 171
 None
 1.18A 4obwC-5fyaA:
undetectable		 4obwC-5fyaA:
19.69
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 GLY A 439
ASP A 437
ILE A 446
GLY A  18
ARG A  75
 None
 1.29A 4obwC-5gnxA:
undetectable		 4obwC-5gnxA:
20.48
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.
5h08 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE ZETA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1936
ILE A1798
ASN A1786
SER A1934
PHE A1811
 None
 1.18A 4obwC-5h08A:
undetectable		 4obwC-5h08A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 ASP A 594
ILE A 566
ASN A 565
GLY A 613
ARG A 575
 None
None
None
None
PCG  A 801 (-4.3A)
 1.29A 4obwC-5h3oA:
undetectable		 4obwC-5h3oA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 TYR A 215
ILE A 133
ARG A 280
ASN A 135
PHE A 138
 None
 1.28A 4obwC-5h3oA:
undetectable		 4obwC-5h3oA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 365
ASP A 356
ILE A 436
ARG A 459
ASN A 439
 None
 1.27A 4obwC-5ip9A:
undetectable		 4obwC-5ip9A:
10.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksw DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis;
Lactococcus
lactis) 		PF01180
(DHO_dh)
PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 GLY A  28
ILE B 228
SER A  24
ASN A 273
PHE A 274
 None
None
FMN  A 401 (-3.2A)
None
None
 1.10A 4obwC-5kswA:
undetectable		 4obwC-5kswA:
23.62
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.
5kvc HALOHYDRIN
DEHALOGENASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A 151
ILE A 236
ASN A 157
GLY A 174
SER A 147
 None
 0.99A 4obwC-5kvcA:
5.3		 4obwC-5kvcA:
23.32
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 ASN A   2
GLY A   5
ASN A  81
GLY A 153
SER A  22
 None
 1.29A 4obwC-5mrrA:
undetectable		 4obwC-5mrrA:
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 GLY A   5
SER A  80
ASN A   2
GLY A  30
SER A  18
 None
 0.97A 4obwC-5mrrA:
undetectable		 4obwC-5mrrA:
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 582
ILE A 506
ASN A 485
GLY A 595
ASN A 502
 None
 1.09A 4obwC-5n6uA:
undetectable		 4obwC-5n6uA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 ASN A 425
GLY A 215
ASP A 213
GLY A 681
ASN A 220
 None
 1.28A 4obwC-5nqdA:
3.5		 4obwC-5nqdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 170
ASP A 323
ILE A 157
GLY A  89
PHE A  40
 None
 1.25A 4obwC-5t9gA:
undetectable		 4obwC-5t9gA:
16.61
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 161
SER A 160
ILE A 184
ASN A 185
SER A  69
 PCA  A   1 ( 4.8A)
None
None
None
None
 1.09A 4obwC-5w11A:
undetectable		 4obwC-5w11A:
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.
5w4t CADHERIN 23

(Danio rerio) 		no annotation 5 TYR C  14
ASN C  94
GLY C  98
GLY C 137
SER C  74
 None
 1.22A 4obwC-5w4tC:
undetectable		 4obwC-5w4tC:
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASN A  78
GLY A  26
ILE A  32
SER A   9
PHE A  57
 INS  A 301 (-3.0A)
INS  A 301 (-3.8A)
None
INS  A 301 ( 4.5A)
None
 1.20A 4obwC-5ysqA:
4.5		 4obwC-5ysqA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 SER A 591
ASP A 392
ILE A 386
GLY A 618
ARG A 702
 None
 1.23A 4obwC-5z9sA:
undetectable		 4obwC-5z9sA:
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.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 ASN A  99
GLY A  12
ILE A 314
GLY A 317
ASN A  20
 None
FAD  A 501 (-3.3A)
None
None
CL  A 504 (-4.2A)
 1.25A 4obwC-6b4oA:
undetectable		 4obwC-6b4oA:
20.26
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 GLY A 216
ILE A 220
ASN A 219
GLY A 210
PHE A 242
 None
 1.20A 4obwC-6eoeA:
undetectable		 4obwC-6eoeA:
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.
6ey0 T9SS COMPONENT
CYTOPLASMIC MEMBRANE
PROTEIN PORM
LLAMA NANOBODY NB01

(Porphyromonas
gingivalis;
Lama glama) 		no annotation
no annotation 		5 GLY E  98
ASP A  96
ILE E  51
ASN E  55
GLY E  35
 None
 0.92A 4obwC-6ey0E:
undetectable		 4obwC-6ey0E:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
ACTD

(Rhodothermus
marinus;
Rhodothermus
marinus) 		no annotation
no annotation 		5 ASN B 870
ASN B 780
GLY D  97
SER B 875
ASN D 104
 None
 1.25A 4obwC-6f0kB:
undetectable		 4obwC-6f0kB:
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		4 LYS A 298
ALA A 290
ASP B 380
ASN B 324
 None
 1.30A 4obwC-2fpgA:
4.1		 4obwC-2fpgA:
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica) 		PF01408
(GFO_IDH_MocA) 		4 ALA A  27
ASP A  52
MET A  57
ASN A  80
 NAD  A1445 (-3.4A)
NAD  A1445 (-2.7A)
NAD  A1445 (-4.3A)
NAD  A1445 (-4.4A)
 0.99A 4obwC-2ixbA:
3.6		 4obwC-2ixbA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		5 LYS A  94
ALA A 119
ASP A 148
MET A 153
ASN A 179
 SAM  A 602 (-3.3A)
SAM  A 602 (-3.2A)
SAM  A 602 (-2.9A)
SAM  A 602 (-3.7A)
SAM  A 602 (-3.7A)
 0.34A 4obwC-4obwA:
40.4		 4obwC-4obwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pp1 LIGHT CHAIN OF FAB
FRAGMENT OF MAB 5H8
HEAVY CHAIN OF FAB
FRAGMENT OF MAB 5H8

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 LYS D  71
ALA D  98
ASP D 108
ASN C  34
 None
 1.40A 4obwC-4pp1D:
0.0		 4obwC-4pp1D:
17.67
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.
5n13 BROMODOMAIN-CONTAINI
NG FACTOR 1

(Candida
albicans) 		PF00439
(Bromodomain) 		4 ALA A 413
ASP A 434
MET A 433
ASN A 408
 GOL  A 502 (-3.6A)
None
None
None
 1.43A 4obwC-5n13A:
undetectable		 4obwC-5n13A:
14.79