SIMILAR PATTERNS OF AMINO ACIDS FOR 2OXT_C_SAMC300_1

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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 SER A 220
GLY A  50
HIS A 105
ASP A  94
 None
 1.31A 2oxtC-1a3qA:
undetectable		 2oxtC-1a3qA:
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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 SER A 111
GLY A 268
HIS A 189
ASP A 199
 None
None
PPE  A 411 ( 4.6A)
None
 1.29A 2oxtC-1akcA:
2.5		 2oxtC-1akcA:
21.50
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.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 SER A 121
GLY A 122
HIS A  47
ASP A 108
 None
 1.29A 2oxtC-1bgpA:
undetectable		 2oxtC-1bgpA:
22.80
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 210
GLY A 212
HIS A 385
ASP A 114
 None
None
ZN  A 500 ( 3.2A)
None
 1.31A 2oxtC-1cg2A:
undetectable		 2oxtC-1cg2A:
21.32
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 337
GLY A 308
HIS A 221
ASP A 217
 None
 1.29A 2oxtC-1e5mA:
undetectable		 2oxtC-1e5mA:
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 SER A 330
GLY A 341
HIS A 384
ASP A 377
 None
None
CU  A 666 (-3.4A)
None
 1.38A 2oxtC-1hcyA:
undetectable		 2oxtC-1hcyA:
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.
1kc8 RIBOSOMAL PROTEIN
L18

(Haloarcula
marismortui) 		PF17144
(Ribosomal_L5e) 		4 SER O  29
GLY O  30
HIS O 131
ASP O 124
 A  A2415 ( 3.7A)
None
None
None
 1.37A 2oxtC-1kc8O:
undetectable		 2oxtC-1kc8O:
23.36
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 384
GLY A 383
HIS A 602
ASP A 567
 None
None
CU  A1054 ( 3.4A)
None
 1.18A 2oxtC-1kcwA:
undetectable		 2oxtC-1kcwA:
14.31
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 SER A 267
GLY A 266
HIS A 261
ASP A 169
 None
 1.30A 2oxtC-1lcyA:
undetectable		 2oxtC-1lcyA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		4 SER A 204
GLY A 201
HIS A 197
ASP A 492
 None
 1.26A 2oxtC-1m22A:
undetectable		 2oxtC-1m22A:
19.68
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.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		4 SER A 230
GLY A 229
HIS A  68
ASP A  72
 None
 1.37A 2oxtC-1m72A:
undetectable		 2oxtC-1m72A:
21.73
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 SER A 109
GLY A 110
HIS A  40
ASP A  96
 None
 1.39A 2oxtC-1qgjA:
undetectable		 2oxtC-1qgjA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 887 ( 2.8A)
SAH  A 887 (-3.0A)
SO4  A 901 ( 3.9A)
SAH  A 887 ( 3.3A)
 0.66A 2oxtC-1r6aA:
38.9		 2oxtC-1r6aA:
48.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 339
GLY A 310
HIS A 223
ASP A 219
 None
 1.27A 2oxtC-1tqyA:
undetectable		 2oxtC-1tqyA:
20.98
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 SER A  28
GLY A  24
HIS A  64
ASP A  70
 None
 1.24A 2oxtC-1wvgA:
5.0		 2oxtC-1wvgA:
20.50
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 SER A 220
GLY A 221
HIS A 160
ASP A 154
 None
CU  A1742 ( 4.5A)
CU  A1741 (-3.5A)
NAG  A1731 ( 4.1A)
 1.26A 2oxtC-2c11A:
undetectable		 2oxtC-2c11A:
16.44
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.
2cn1 CYTOSOLIC
5'-NUCLEOTIDASE III

(Homo sapiens) 		PF05822
(UMPH-1) 		4 SER A 228
GLY A 230
HIS A  57
ASP A 158
 None
 0.90A 2oxtC-2cn1A:
undetectable		 2oxtC-2cn1A:
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 SER A 287
GLY A 427
HIS A 136
ASP A 138
 None
 1.10A 2oxtC-2csuA:
4.9		 2oxtC-2csuA:
20.40
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		4 SER A 192
GLY A 195
HIS A 287
ASP A 387
 None
None
VO4  A 801 (-3.6A)
UNX  A 601 ( 2.6A)
 1.22A 2oxtC-2d1gA:
undetectable		 2oxtC-2d1gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 SER A 138
GLY A 160
HIS A  74
ASP A 406
 None
 1.27A 2oxtC-2eceA:
undetectable		 2oxtC-2eceA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 156
GLY A 158
HIS A  93
ASP A  41
 None
None
ADP  A1001 (-3.7A)
None
 1.21A 2oxtC-2iopA:
undetectable		 2oxtC-2iopA:
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 124
GLY A 122
HIS A 345
ASP A 294
 None
 1.07A 2oxtC-2o56A:
undetectable		 2oxtC-2o56A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  54
GLY A  43
HIS A  99
ASP A 217
 None
 1.20A 2oxtC-2oq5A:
undetectable		 2oxtC-2oq5A:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 SER A  57
GLY A  59
HIS A 111
ASP A 132
 SAM  A 300 (-2.6A)
SAM  A 300 (-3.1A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.9A)
 0.31A 2oxtC-2oxtA:
45.0		 2oxtC-2oxtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.2A)
 0.67A 2oxtC-2oy0A:
38.4		 2oxtC-2oy0A:
51.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 500 (-2.5A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.9A)
SAH  A 500 (-3.5A)
 0.36A 2oxtC-2px5A:
39.3		 2oxtC-2px5A:
51.31
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.
2qm8 GTPASE/ATPASE

(Methylobacterium
extorquens) 		PF03308
(ArgK) 		4 SER A  77
GLY A  76
HIS A 244
ASP A 204
 None
 1.28A 2oxtC-2qm8A:
undetectable		 2oxtC-2qm8A:
22.84
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 SER A 282
GLY A  67
HIS A 327
ASP A 374
 None
 1.29A 2oxtC-2vhlA:
undetectable		 2oxtC-2vhlA:
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		4 SER A 157
GLY A 144
HIS A 123
ASP A 110
 None
 1.33A 2oxtC-2xj9A:
2.4		 2oxtC-2xj9A:
20.46
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER A1154
GLY A1153
HIS A1079
ASP A 471
 None
 1.40A 2oxtC-2xkkA:
undetectable		 2oxtC-2xkkA:
16.24
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.
2xsz RUVB-LIKE 1

(Homo sapiens) 		PF06068
(TIP49) 		4 SER A 103
GLY A 102
HIS A  32
ASP A 213
 None
None
ATP  A 501 (-3.7A)
ATP  A 501 ( 4.6A)
 1.39A 2oxtC-2xszA:
undetectable		 2oxtC-2xszA:
22.25
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.
2z0l EARLY ANTIGEN
PROTEIN D

(Human
gammaherpesvirus
4) 		PF04929
(Herpes_DNAp_acc) 		4 SER A 261
GLY A 278
HIS A  27
ASP A 246
 None
 1.27A 2oxtC-2z0lA:
undetectable		 2oxtC-2z0lA:
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Desulfovibrio
vulgaris) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 SER A 169
GLY A 170
HIS A  74
ASP A  67
 None
 1.32A 2oxtC-2z1uA:
undetectable		 2oxtC-2z1uA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER A 413
GLY A 304
HIS A 381
ASP A 637
 None
 1.40A 2oxtC-3aqpA:
undetectable		 2oxtC-3aqpA:
16.58
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus;
Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 SER A  48
GLY A 550
HIS A  30
ASP B  51
 None
 1.32A 2oxtC-3ayxA:
undetectable		 2oxtC-3ayxA:
18.64
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.
3b85 PHOSPHATE
STARVATION-INDUCIBLE
PROTEIN

(Corynebacterium
glutamicum) 		PF02562
(PhoH) 		4 SER A 145
GLY A 146
HIS A 297
ASP A 295
 SO4  A 401 (-4.9A)
SO4  A 401 (-3.2A)
None
None
 1.40A 2oxtC-3b85A:
undetectable		 2oxtC-3b85A:
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.
3brk GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Agrobacterium
tumefaciens) 		PF00483
(NTP_transferase) 		4 SER X 363
GLY X 346
HIS X  76
ASP X  82
 None
 0.88A 2oxtC-3brkX:
undetectable		 2oxtC-3brkX:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A 901 (-2.6A)
SAH  A 901 (-3.2A)
SAH  A 901 (-3.8A)
SAH  A 901 (-3.7A)
 0.45A 2oxtC-3evcA:
39.6		 2oxtC-3evcA:
48.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A4633 (-2.7A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.5A)
SAM  A4633 (-3.7A)
 0.31A 2oxtC-3gczA:
40.4		 2oxtC-3gczA:
49.07
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.
3hi8 PROLIFERATING CELL
NUCLEAR ANTIGEN PCNA

(Haloferax
volcanii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 SER A 149
GLY A 169
HIS A 164
ASP A 157
 None
 1.36A 2oxtC-3hi8A:
undetectable		 2oxtC-3hi8A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		4 SER A 211
GLY A 207
HIS A 113
ASP A 552
 None
None
CYN  A 900 (-4.1A)
None
 1.18A 2oxtC-3i04A:
2.7		 2oxtC-3i04A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		4 SER A  99
GLY A 137
HIS A 189
ASP A 328
 None
None
ZN  A 435 ( 3.2A)
None
 1.35A 2oxtC-3k9tA:
undetectable		 2oxtC-3k9tA:
20.63
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		4 SER A  15
GLY A  11
HIS A 214
ASP A 235
 None
FAD  A 500 (-3.3A)
None
None
 1.32A 2oxtC-3ka7A:
3.8		 2oxtC-3ka7A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ld9 THYMIDYLATE KINASE

(Ehrlichia
chaffeensis) 		PF02223
(Thymidylate_kin) 		4 SER A  11
GLY A  12
HIS A 174
ASP A 126
 SO4  A 300 (-4.6A)
SO4  A 300 (-3.4A)
None
None
 1.33A 2oxtC-3ld9A:
undetectable		 2oxtC-3ld9A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 SER A 110
GLY A 266
HIS A 187
ASP A 197
 None
None
EDO  A 506 (-4.7A)
EDO  A 506 (-3.8A)
 1.32A 2oxtC-3mebA:
undetectable		 2oxtC-3mebA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 SER A 164
GLY A 163
HIS A 183
ASP A 672
 None
 1.33A 2oxtC-3o8lA:
undetectable		 2oxtC-3o8lA:
17.06
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		4 SER A 370
GLY A 367
HIS A 488
ASP B 473
 None
None
F6P  A 988 (-4.2A)
None
 1.26A 2oxtC-3o8oA:
undetectable		 2oxtC-3o8oA:
15.38
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.
3ono RIBOSE/GALACTOSE
ISOMERASE

(Vibrio
parahaemolyticus) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		4 SER A 111
GLY A  74
HIS A  50
ASP A 176
 None
 1.38A 2oxtC-3onoA:
undetectable		 2oxtC-3onoA:
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 562
GLY A 512
HIS A  94
ASP A 478
 None
None
CU  A 604 ( 3.1A)
None
 1.31A 2oxtC-3ppsA:
undetectable		 2oxtC-3ppsA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 562
GLY A 512
HIS A 139
ASP A 478
 None
None
CU  A 603 ( 3.1A)
None
 1.33A 2oxtC-3ppsA:
undetectable		 2oxtC-3ppsA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 298
GLY A 294
HIS A 490
ASP A 463
 GOL  A 607 ( 4.7A)
None
CU  A 603 (-3.5A)
None
 1.19A 2oxtC-3v9eA:
undetectable		 2oxtC-3v9eA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		4 SER A 301
GLY A 298
HIS A 292
ASP A  58
 None
 1.25A 2oxtC-3w5fA:
undetectable		 2oxtC-3w5fA:
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 4 SER A 339
GLY A 338
HIS A 332
ASP A 187
 None
SO4  A 503 (-3.7A)
None
None
 1.27A 2oxtC-3wvrA:
undetectable		 2oxtC-3wvrA:
21.97
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 SER A 418
GLY A  28
HIS A 430
ASP A 379
 None
 1.16A 2oxtC-3wy2A:
undetectable		 2oxtC-3wy2A:
20.31
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 SER A1734
GLY A1736
HIS A1527
ASP A 985
 GOL  A2778 (-3.6A)
GOL  A2778 (-3.7A)
None
CA  A2770 (-2.2A)
 1.37A 2oxtC-4aygA:
undetectable		 2oxtC-4aygA:
13.30
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 SER A 469
GLY A 468
HIS A 434
ASP A 429
 None
 1.29A 2oxtC-4b9yA:
undetectable		 2oxtC-4b9yA:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 SER A  74
GLY A  75
HIS A  65
ASP A  96
 None
 1.31A 2oxtC-4blaA:
undetectable		 2oxtC-4blaA:
15.58
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		4 SER A 444
GLY A 441
HIS A 448
ASP A 489
 None
GOL  A1746 ( 3.1A)
None
NA  A1731 (-3.2A)
 1.32A 2oxtC-4c1oA:
undetectable		 2oxtC-4c1oA:
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		4 SER A  30
GLY A 516
HIS A 543
ASP A 427
 None
CA  A 610 ( 4.4A)
None
CA  A 604 (-3.2A)
 1.39A 2oxtC-4cagA:
undetectable		 2oxtC-4cagA:
18.38
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		4 SER A 112
GLY A 113
HIS A  40
ASP A  99
 None
 1.35A 2oxtC-4cuoA:
undetectable		 2oxtC-4cuoA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4de8 CPS2A

(Streptococcus
pneumoniae) 		PF02916
(DNA_PPF)
PF03816
(LytR_cpsA_psr) 		4 SER A 245
GLY A 232
HIS A 297
ASP A 306
 None
0K3  A 501 ( 3.9A)
None
None
 1.14A 2oxtC-4de8A:
undetectable		 2oxtC-4de8A:
19.50
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.
4dwe UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF15421
(Polysacc_deac_3) 		4 SER A 473
GLY A 117
HIS A 457
ASP A 449
 GOL  A 504 ( 4.3A)
None
None
None
 1.30A 2oxtC-4dweA:
undetectable		 2oxtC-4dweA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 4 SER A 332
GLY A 331
HIS A 323
ASP A 192
 None
None
HEM  A 501 (-3.3A)
ACT  A 513 ( 2.6A)
 1.06A 2oxtC-4g2cA:
undetectable		 2oxtC-4g2cA:
21.24
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		4 SER B 581
GLY B 579
HIS B 385
ASP B 437
 None
 1.38A 2oxtC-4hxeB:
undetectable		 2oxtC-4hxeB:
18.40
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 SER A 147
GLY A 100
HIS A  21
ASP A  66
 None
None
CO  A 402 (-3.3A)
None
 1.39A 2oxtC-4j35A:
undetectable		 2oxtC-4j35A:
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.
4jvs PUTATIVE
UNCHARACTERIZED
PROTEIN
RAS-RELATED PROTEIN
RAB-1A

(Legionella
drancourtii;
Homo sapiens) 		no annotation
PF00071
(Ras) 		4 SER A 593
GLY A 557
HIS A 418
ASP B  95
 None
None
GDP  B 400 ( 4.8A)
None
 1.07A 2oxtC-4jvsA:
undetectable		 2oxtC-4jvsA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.1A)
SAH  A1001 ( 3.6A)
SAH  A1001 (-3.7A)
 0.45A 2oxtC-4k6mA:
39.1		 2oxtC-4k6mA:
16.36
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 SER A 269
GLY A 266
HIS A  58
ASP A 134
 None
None
ADN  A 501 (-4.0A)
None
 1.40A 2oxtC-4lvcA:
2.1		 2oxtC-4lvcA:
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.
4q9n ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Chlamydia
trachomatis) 		PF13561
(adh_short_C2) 		4 SER A 228
GLY A 231
HIS A 125
ASP A 202
 NAI  A 301 (-2.3A)
NAI  A 301 ( 4.3A)
None
None
 1.01A 2oxtC-4q9nA:
4.8		 2oxtC-4q9nA:
18.71
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 SER A 180
GLY A 176
HIS A 352
ASP A 373
 None
 1.15A 2oxtC-4qa9A:
undetectable		 2oxtC-4qa9A:
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		4 SER A 422
GLY A 419
HIS A 426
ASP A 467
 None
None
None
CA  A 801 (-3.4A)
 1.36A 2oxtC-4rhhA:
undetectable		 2oxtC-4rhhA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 SER A  50
GLY A  17
HIS A 377
ASP A 354
 FAD  A 502 (-2.7A)
FAD  A 502 (-3.1A)
None
None
 1.26A 2oxtC-4rslA:
2.1		 2oxtC-4rslA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		4 SER B 148
GLY B 300
HIS B  38
ASP B 114
 None
 1.36A 2oxtC-4tx2B:
undetectable		 2oxtC-4tx2B:
20.85
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.
4wjv RIBOSOME ASSEMBLY
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 144
GLY A 164
HIS A 485
ASP A 465
 None
 1.20A 2oxtC-4wjvA:
undetectable		 2oxtC-4wjvA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		4 SER A 230
GLY A 439
HIS A 310
ASP A 288
 None
None
None
CA  A1003 (-3.5A)
 1.34A 2oxtC-4yu5A:
undetectable		 2oxtC-4yu5A:
18.44
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 480
GLY A 481
HIS A 853
ASP A 419
 None
 1.39A 2oxtC-5a0zA:
undetectable		 2oxtC-5a0zA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		4 SER A 153
GLY A 154
HIS A  79
ASP A 140
 None
 1.31A 2oxtC-5aogA:
undetectable		 2oxtC-5aogA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp3 MYCOCEROSIC ACID
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF14765
(PS-DH) 		4 SER A 985
GLY A 997
HIS A1001
ASP A 977
 None
 1.21A 2oxtC-5bp3A:
undetectable		 2oxtC-5bp3A:
24.38
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 SER A 365
GLY A 368
HIS A 319
ASP A 227
 None
 1.36A 2oxtC-5bv9A:
undetectable		 2oxtC-5bv9A:
16.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A 301 (-2.7A)
SAM  A 301 (-3.2A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.4A)
 0.54A 2oxtC-5e9qA:
39.2		 2oxtC-5e9qA:
50.19
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.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 SER A 445
GLY A 447
HIS A 398
ASP A 300
 None
 1.05A 2oxtC-5f4jA:
undetectable		 2oxtC-5f4jA:
21.27
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		4 SER A 247
GLY A 251
HIS A 114
ASP A 111
 None
 1.13A 2oxtC-5i33A:
undetectable		 2oxtC-5i33A:
22.25
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 SER A 534
GLY A 533
HIS A 468
ASP A 406
 None
 1.34A 2oxtC-5i5dA:
undetectable		 2oxtC-5i5dA:
17.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAM  A 311 ( 2.7A)
SAM  A 311 (-3.3A)
SAM  A 311 (-4.1A)
MLT  A 313 ( 2.6A)
 0.61A 2oxtC-5ikmA:
38.7		 2oxtC-5ikmA:
49.63
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 SER A  76
GLY A 158
HIS A 403
ASP A 326
 None
 1.37A 2oxtC-5jjhA:
undetectable		 2oxtC-5jjhA:
17.53
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 SER A  76
GLY A 158
HIS A 403
ASP A 397
 None
None
None
GOL  A 801 (-4.2A)
 1.30A 2oxtC-5jjhA:
undetectable		 2oxtC-5jjhA:
17.53
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A 372
GLY A 373
HIS A 342
ASP A 326
 None
 1.08A 2oxtC-5jjqA:
2.6		 2oxtC-5jjqA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.6A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.9A)
 0.45A 2oxtC-5njuA:
38.6		 2oxtC-5njuA:
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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 4 SER A 149
GLY A 152
HIS A 179
ASP A  72
 None
 1.39A 2oxtC-5nnyA:
undetectable		 2oxtC-5nnyA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 SER A 512
GLY A  99
HIS A 507
ASP A 593
 None
None
9FQ  A 911 (-3.9A)
9FQ  A 911 (-3.5A)
 1.35A 2oxtC-5o0sA:
undetectable		 2oxtC-5o0sA:
14.92
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 SER A  56
GLY A  58
HIS A 110
ASP A 131
 SAH  A1001 (-2.5A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.0A)
 0.46A 2oxtC-5tmhA:
38.2		 2oxtC-5tmhA:
17.08
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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 4

(Homo sapiens) 		no annotation 4 SER B 129
GLY B 128
HIS B 120
ASP B 117
 None
 1.31A 2oxtC-5vgzB:
undetectable		 2oxtC-5vgzB:
15.47
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		4 SER A 491
GLY A 494
HIS A 367
ASP A 458
 None
 1.32A 2oxtC-5vj1A:
undetectable		 2oxtC-5vj1A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 4 SER A 240
GLY A 241
HIS A 386
ASP A 137
 MSS  A 401 ( 4.6A)
MSS  A 401 (-3.9A)
None
None
 1.34A 2oxtC-5wa0A:
undetectable		 2oxtC-5wa0A:
23.24
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		4 SER A  50
GLY A  17
HIS A 373
ASP A 350
 FAD  A 501 (-2.8A)
FAD  A 501 (-3.3A)
None
None
 1.28A 2oxtC-5xaoA:
2.1		 2oxtC-5xaoA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER A 438
GLY A 329
HIS A 406
ASP A 666
 None
 1.14A 2oxtC-5xapA:
undetectable		 2oxtC-5xapA:
15.35
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.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 4 SER A 108
GLY A 145
HIS A 154
ASP A 164
 SER  A 108 ( 0.0A)
GLY  A 145 ( 0.0A)
HIS  A 154 ( 1.0A)
ASP  A 164 ( 0.5A)
 1.19A 2oxtC-5xluA:
undetectable		 2oxtC-5xluA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 SER C 237
GLY C 236
HIS B 996
ASP B1009
 None
 1.23A 2oxtC-5xogC:
undetectable		 2oxtC-5xogC:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 SER H 672
GLY H 498
HIS H 697
ASP H 767
 None
 1.14A 2oxtC-6chsH:
undetectable		 2oxtC-6chsH:
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.
6ek2 SINGLE CHAIN FV
FRAGMENT

(Mus musculus) 		no annotation 4 SER H 387
GLY H 388
HIS H 204
ASP H 222
 None
 1.33A 2oxtC-6ek2H:
undetectable		 2oxtC-6ek2H:
undetectable