SIMILAR PATTERNS OF AMINO ACIDS FOR 4UUU_A_SAMA1546_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 LEU A 117
ASP A 120
GLN A 145
ALA A 146
HIS A 123
 None
 1.40A 4uuuA-1auxA:
0.0
4uuuB-1auxA:
0.0		 4uuuA-1auxA:
17.09
4uuuB-1auxA:
17.09
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.
1d2f MALY PROTEIN

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A 103
ASP A 201
ALA A 226
VAL A 198
ILE A 116
 None
PLP  A 400 (-2.9A)
None
None
None
 1.30A 4uuuA-1d2fA:
0.0
4uuuB-1d2fA:
0.0		 4uuuA-1d2fA:
17.30
4uuuB-1d2fA:
17.30
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.
1dut DUTP PYROPHOSPHATASE

(Feline
immunodeficiency
virus) 		PF00692
(dUTPase) 		5 LEU A  92
ASP A  19
ALA A  22
VAL A  80
ILE A  53
 None
 1.31A 4uuuA-1dutA:
0.0
4uuuB-1dutA:
0.0		 4uuuA-1dutA:
20.38
4uuuB-1dutA:
20.38
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.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		5 LEU A 356
GLN A 306
ALA A 307
ILE A  77
ASP A  33
 None
 1.27A 4uuuA-1fbaA:
0.0
4uuuB-1fbaA:
0.0		 4uuuA-1fbaA:
17.89
4uuuB-1fbaA:
17.89
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 407
ASP B 401
HIS B 782
VAL B 200
ILE B 396
 None
 1.36A 4uuuA-1ffvB:
0.0
4uuuB-1ffvB:
0.0		 4uuuA-1ffvB:
10.53
4uuuB-1ffvB:
10.53
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ASP A  98
ALA A  68
VAL A  14
THR A  85
ILE A  84
 None
 1.38A 4uuuA-1fuiA:
0.0
4uuuB-1fuiA:
0.0		 4uuuA-1fuiA:
14.16
4uuuB-1fuiA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ASP A  68
GLN A 136
ALA A 137
VAL A 370
ILE A 397
 None
 1.38A 4uuuA-1kczA:
0.0
4uuuB-1kczA:
0.0		 4uuuA-1kczA:
17.07
4uuuB-1kczA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 LEU L 166
ASP L 104
GLN L  99
ALA L 101
ILE L 111
 None
 1.30A 4uuuA-1kfuL:
0.0
4uuuB-1kfuL:
0.0		 4uuuA-1kfuL:
11.31
4uuuB-1kfuL:
11.31
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.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 LEU A 241
ASP A 227
ALA A 237
VAL A 113
ILE A 196
 None
KAN  A1300 (-3.8A)
None
None
None
 1.23A 4uuuA-1nd4A:
0.0
4uuuB-1nd4A:
0.0		 4uuuA-1nd4A:
23.81
4uuuB-1nd4A:
23.81
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		5 LEU C 245
ASP C 144
GLN C 240
ALA C 241
ASP C  23
 None
 1.25A 4uuuA-1odtC:
undetectable
4uuuB-1odtC:
undetectable		 4uuuA-1odtC:
18.50
4uuuB-1odtC:
18.50
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 LEU A 674
GLN A 578
ALA A 576
ILE A 585
ASP A 547
 None
 1.26A 4uuuA-1qafA:
undetectable
4uuuB-1qafA:
undetectable		 4uuuA-1qafA:
11.42
4uuuB-1qafA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		5 LEU A  97
ALA A  96
HIS A 234
THR A 246
ILE A 237
 None
 1.11A 4uuuA-1qxyA:
undetectable
4uuuB-1qxyA:
undetectable		 4uuuA-1qxyA:
20.91
4uuuB-1qxyA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 383
GLN A 394
ALA A 371
VAL A 392
ASP A 191
 None
 1.27A 4uuuA-1svdA:
undetectable
4uuuB-1svdA:
undetectable		 4uuuA-1svdA:
15.62
4uuuB-1svdA:
15.62
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 LEU A 756
ALA A 712
THR A 434
ILE A 483
ASP A 484
 None
 1.36A 4uuuA-1u1hA:
undetectable
4uuuB-1u1hA:
undetectable		 4uuuA-1u1hA:
12.22
4uuuB-1u1hA:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		5 LEU A 435
ALA A 413
VAL A 446
THR A 424
ASP A 448
 None
 1.26A 4uuuA-1upxA:
undetectable
4uuuB-1upxA:
undetectable		 4uuuA-1upxA:
13.86
4uuuB-1upxA:
13.86
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.
2c9i GREEN FLUORESCENT
PROTEIN ASFP499

(Anemonia
sulcata) 		PF01353
(GFP) 		5 LEU A  58
PHE A  62
GLN A 210
HIS A 211
VAL A 208
 None
None
CRQ  A  63 ( 3.9A)
None
None
 1.31A 4uuuA-2c9iA:
undetectable
4uuuB-2c9iA:
undetectable		 4uuuA-2c9iA:
19.75
4uuuB-2c9iA:
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A 241
PHE A 292
ALA A 289
THR A 236
ILE A 300
 None
 1.31A 4uuuA-2epgA:
undetectable
4uuuB-2epgA:
undetectable		 4uuuA-2epgA:
15.38
4uuuB-2epgA:
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 LEU A 187
GLN A 312
ALA A 313
ILE A 296
ASP A 298
 None
 1.06A 4uuuA-2gjnA:
undetectable
4uuuB-2gjnA:
undetectable		 4uuuA-2gjnA:
17.82
4uuuB-2gjnA:
17.82
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 LEU A 200
PHE A 231
ASP A 230
GLN A 234
ALA A 235
 None
 1.24A 4uuuA-2icsA:
undetectable
4uuuB-2icsA:
undetectable		 4uuuA-2icsA:
17.94
4uuuB-2icsA:
17.94
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.
2iu5 HTH-TYPE DHAKLM
OPERON
TRANSCRIPTIONAL
ACTIVATOR DHAS

(Lactococcus
lactis) 		PF00440
(TetR_N) 		5 LEU A  53
PHE A  15
ASP A  17
ALA A  12
ILE A  91
 None
 1.39A 4uuuA-2iu5A:
undetectable
4uuuB-2iu5A:
undetectable		 4uuuA-2iu5A:
20.87
4uuuB-2iu5A:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 284
GLN A 915
VAL A 300
ILE A 281
ASP A 303
 MGD  A1986 (-3.0A)
None
MGD  A1986 ( 4.0A)
MGD  A1986 (-4.1A)
MGD  A1986 (-2.9A)
 1.29A 4uuuA-2ivfA:
undetectable
4uuuB-2ivfA:
undetectable		 4uuuA-2ivfA:
9.52
4uuuB-2ivfA:
9.52
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 ASP A 248
ALA A 250
VAL A 278
ILE A 177
ASP A 213
 None
 1.10A 4uuuA-2iy9A:
undetectable
4uuuB-2iy9A:
undetectable		 4uuuA-2iy9A:
17.10
4uuuB-2iy9A:
17.10
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.
2leh SURVIVAL OF MOTOR
NEURON
PROTEIN-INTERACTING
PROTEIN 1
SURVIVAL MOTOR
NEURON PROTEIN

(Homo sapiens;
Homo sapiens) 		PF04938
(SIP1)
PF06003
(SMN) 		5 LEU A 219
GLN A 109
VAL A 113
ILE B  40
ASP B  44
 None
 1.17A 4uuuA-2lehA:
undetectable
4uuuB-2lehA:
undetectable		 4uuuA-2lehA:
17.53
4uuuB-2lehA:
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.
2oqc PENICILLIN V ACYLASE

(Bacillus
subtilis) 		PF02275
(CBAH) 		5 LEU A   4
ALA A  16
THR A 276
ILE A 261
ASP A  20
 None
 1.24A 4uuuA-2oqcA:
undetectable
4uuuB-2oqcA:
undetectable		 4uuuA-2oqcA:
19.63
4uuuB-2oqcA:
19.63
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 LEU A   4
ASP A  31
ALA A  28
VAL A  17
ILE A  12
 None
NAD  A1118 (-2.7A)
None
None
NAD  A1118 (-3.8A)
 1.38A 4uuuA-2p5uA:
undetectable
4uuuB-2p5uA:
undetectable		 4uuuA-2p5uA:
20.07
4uuuB-2p5uA:
20.07
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A  67
ALA A 433
THR A  25
ILE A  23
ASP A  24
 None
 1.17A 4uuuA-2q27A:
undetectable
4uuuB-2q27A:
undetectable		 4uuuA-2q27A:
14.01
4uuuB-2q27A:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qsx PUTATIVE
TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Vibrio
parahaemolyticus) 		PF03466
(LysR_substrate) 		5 LEU A 158
PHE A 142
ALA A 145
THR A 114
ASP A  53
 None
SO4  A 216 ( 4.2A)
None
None
None
 1.33A 4uuuA-2qsxA:
undetectable
4uuuB-2qsxA:
undetectable		 4uuuA-2qsxA:
22.02
4uuuB-2qsxA:
22.02
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 LEU A   4
ALA A  16
THR A 276
ILE A 261
ASP A  20
 None
 1.19A 4uuuA-2quyA:
undetectable
4uuuB-2quyA:
undetectable		 4uuuA-2quyA:
18.61
4uuuB-2quyA:
18.61
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		5 LEU A 316
ALA A 291
HIS A 355
VAL A 436
ILE A 387
 None
 1.30A 4uuuA-2qymA:
undetectable
4uuuB-2qymA:
undetectable		 4uuuA-2qymA:
17.96
4uuuB-2qymA:
17.96
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.
2v0s LR1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 112
ASP A 145
GLN A  42
THR A  12
ILE A 231
 None
GOL  A1240 (-2.7A)
None
None
None
 1.19A 4uuuA-2v0sA:
undetectable
4uuuB-2v0sA:
undetectable		 4uuuA-2v0sA:
20.36
4uuuB-2v0sA:
20.36
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.
2xw7 DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF01872
(RibD_C) 		5 ALA A 102
VAL A   1
THR A   3
ILE A 127
ASP A 128
 None
 1.15A 4uuuA-2xw7A:
undetectable
4uuuB-2xw7A:
undetectable		 4uuuA-2xw7A:
26.32
4uuuB-2xw7A:
26.32
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.
2y4f PEROXIDASE YCDB

(Escherichia
coli) 		PF04261
(Dyp_perox) 		5 LEU A  97
GLN A  34
ALA A 148
THR A  31
ILE A  29
 None
 1.29A 4uuuA-2y4fA:
undetectable
4uuuB-2y4fA:
undetectable		 4uuuA-2y4fA:
18.68
4uuuB-2y4fA:
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.
2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 178
PHE A 214
ASP A 215
ALA A 211
ILE A 218
 None
 1.38A 4uuuA-2yh0A:
undetectable
4uuuB-2yh0A:
undetectable		 4uuuA-2yh0A:
20.87
4uuuB-2yh0A:
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 LEU A 433
ALA A 478
THR A 409
ILE A 427
ASP A 424
 None
None
None
MES  A5001 ( 4.5A)
None
 1.02A 4uuuA-3aibA:
undetectable
4uuuB-3aibA:
undetectable		 4uuuA-3aibA:
10.78
4uuuB-3aibA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akc CYTIDYLATE KINASE

(Thermus
thermophilus) 		PF02224
(Cytidylate_kin) 		5 LEU A  43
PHE A  42
ALA A  39
VAL A  93
THR A  90
 None
 1.28A 4uuuA-3akcA:
undetectable
4uuuB-3akcA:
undetectable		 4uuuA-3akcA:
22.12
4uuuB-3akcA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 LEU A 261
GLN A 244
HIS A  31
VAL A 279
THR A 277
 None
 1.31A 4uuuA-3c9fA:
undetectable
4uuuB-3c9fA:
undetectable		 4uuuA-3c9fA:
14.00
4uuuB-3c9fA:
14.00
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		5 ASP A 108
ALA A 113
VAL A 127
THR A 135
ILE A 150
 None
 1.21A 4uuuA-3djcA:
undetectable
4uuuB-3djcA:
undetectable		 4uuuA-3djcA:
21.29
4uuuB-3djcA:
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 439
GLN A 397
ALA A 398
THR A 391
ASP A 392
 None
 1.37A 4uuuA-3fawA:
undetectable
4uuuB-3fawA:
undetectable		 4uuuA-3fawA:
10.21
4uuuB-3fawA:
10.21
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 ASP A 595
GLN A 729
ALA A 597
VAL A 588
ASP A 678
 CA  A 829 ( 2.4A)
None
None
None
CA  A 828 (-2.6A)
 1.25A 4uuuA-3fbyA:
undetectable
4uuuB-3fbyA:
undetectable		 4uuuA-3fbyA:
13.41
4uuuB-3fbyA:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASP A 149
ALA A  69
VAL A 104
THR A 100
ASP A  94
 None
 1.12A 4uuuA-3fk5A:
undetectable
4uuuB-3fk5A:
undetectable		 4uuuA-3fk5A:
18.53
4uuuB-3fk5A:
18.53
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.
3gbp GALACTOSE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 LEU A 255
ALA A 237
VAL A 235
ASP A 154
ASP A  14
 None
None
None
BGC  A 308 ( 3.4A)
BGC  A 308 ( 2.5A)
 1.38A 4uuuA-3gbpA:
undetectable
4uuuB-3gbpA:
undetectable		 4uuuA-3gbpA:
19.42
4uuuB-3gbpA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		5 ASP A 104
GLN A 108
ALA A 109
VAL A  47
ASP A  53
 None
 1.11A 4uuuA-3hbaA:
undetectable
4uuuB-3hbaA:
undetectable		 4uuuA-3hbaA:
19.16
4uuuB-3hbaA:
19.16
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.
3hp4 GDSL-ESTERASE

(Pseudoalteromonas
sp. 643A) 		PF13472
(Lipase_GDSL_2) 		5 GLN A 100
ALA A 101
THR A 136
ILE A 132
ASP A 135
 None
 1.17A 4uuuA-3hp4A:
undetectable
4uuuB-3hp4A:
undetectable		 4uuuA-3hp4A:
20.53
4uuuB-3hp4A:
20.53
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.
3i9x MUTT/NUDIX FAMILY
PROTEIN

(Listeria
innocua) 		PF00293
(NUDIX) 		5 ALA A 129
HIS A  45
VAL A 125
THR A  33
ILE A  31
 None
 1.29A 4uuuA-3i9xA:
undetectable
4uuuB-3i9xA:
undetectable		 4uuuA-3i9xA:
20.63
4uuuB-3i9xA:
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.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		5 LEU A 142
ASP A 138
ALA A 181
VAL A 210
THR A 213
 None
 1.22A 4uuuA-3iomA:
undetectable
4uuuB-3iomA:
undetectable		 4uuuA-3iomA:
22.91
4uuuB-3iomA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mae 2-OXOISOVALERATE
DEHYDROGENASE E2
COMPONENT,
DIHYDROLIPOAMIDE
ACETYLTRANSFERASE

(Listeria
monocytogenes) 		PF00198
(2-oxoacid_dh) 		5 LEU A 262
PHE A 331
GLN A 352
ALA A 353
ILE A 281
 None
 1.35A 4uuuA-3maeA:
undetectable
4uuuB-3maeA:
undetectable		 4uuuA-3maeA:
20.16
4uuuB-3maeA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mae 2-OXOISOVALERATE
DEHYDROGENASE E2
COMPONENT,
DIHYDROLIPOAMIDE
ACETYLTRANSFERASE

(Listeria
monocytogenes) 		PF00198
(2-oxoacid_dh) 		5 LEU A 262
PHE A 331
GLN A 352
ALA A 353
ILE A 294
 None
 1.31A 4uuuA-3maeA:
undetectable
4uuuB-3maeA:
undetectable		 4uuuA-3maeA:
20.16
4uuuB-3maeA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 357
ASP A 405
ALA A 366
VAL A 349
ILE A 992
 None
 1.24A 4uuuA-3ne5A:
undetectable
4uuuB-3ne5A:
undetectable		 4uuuA-3ne5A:
9.49
4uuuB-3ne5A:
9.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Shewanella
loihica) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 399
ASP A 455
ALA A 461
VAL A 380
THR A 382
 None
 1.23A 4uuuA-3ntdA:
undetectable
4uuuB-3ntdA:
undetectable		 4uuuA-3ntdA:
14.51
4uuuB-3ntdA:
14.51
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLN A 222
ALA A 223
HIS A 168
VAL A 174
THR A 170
 None
 1.03A 4uuuA-3ogrA:
undetectable
4uuuB-3ogrA:
undetectable		 4uuuA-3ogrA:
10.17
4uuuB-3ogrA:
10.17
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B  13
ASP B 128
GLN B 494
ALA B 495
ILE B 123
 None
 1.34A 4uuuA-3p8cB:
undetectable
4uuuB-3p8cB:
undetectable		 4uuuA-3p8cB:
9.42
4uuuB-3p8cB:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 444
ALA A 491
HIS A 435
THR A 480
ASP A 254
 None
None
CU  A 604 ( 3.3A)
None
None
 1.39A 4uuuA-3ppsA:
undetectable
4uuuB-3ppsA:
undetectable		 4uuuA-3ppsA:
13.10
4uuuB-3ppsA:
13.10
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.
3qqc DNA-DIRECTED RNA
POLYMERASE SUBUNIT
B, DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A', DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Pyrococcus
furiosus) 		PF04560
(RNA_pol_Rpb2_7)
PF04997
(RNA_pol_Rpb1_1) 		5 LEU A 414
PHE A 415
ALA A 417
THR A 152
ILE A 153
 None
 1.39A 4uuuA-3qqcA:
undetectable
4uuuB-3qqcA:
undetectable		 4uuuA-3qqcA:
15.90
4uuuB-3qqcA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 LEU A 249
PHE A  59
ASP A  61
ALA A 248
ILE A  52
 None
 1.38A 4uuuA-3qslA:
undetectable
4uuuB-3qslA:
undetectable		 4uuuA-3qslA:
17.05
4uuuB-3qslA:
17.05
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 LEU A 190
PHE A 204
ASP A 207
ILE A  52
ASP A   9
 None
None
CA  A 257 ( 2.1A)
None
CA  A 257 (-3.2A)
 1.40A 4uuuA-3rhtA:
undetectable
4uuuB-3rhtA:
undetectable		 4uuuA-3rhtA:
22.81
4uuuB-3rhtA:
22.81
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.
3t20 CIS-ACONITATE PORIN
OPDH

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 LEU A  40
ASP A  56
GLN A  43
ALA A   9
ILE A 111
 None
 1.40A 4uuuA-3t20A:
undetectable
4uuuB-3t20A:
undetectable		 4uuuA-3t20A:
17.94
4uuuB-3t20A:
17.94
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.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		5 PHE A 174
ASP A 173
GLN A  38
THR A   5
ILE A 257
 None
 1.19A 4uuuA-3tebA:
undetectable
4uuuB-3tebA:
undetectable		 4uuuA-3tebA:
17.78
4uuuB-3tebA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 LEU A 472
PHE A 483
ASP A 484
ALA A 486
ILE A 459
 None
 1.37A 4uuuA-4aeeA:
undetectable
4uuuB-4aeeA:
undetectable		 4uuuA-4aeeA:
10.78
4uuuB-4aeeA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4arp PESTICIN

(Yersinia pestis) 		PF16754
(Pesticin) 		5 LEU A 346
ASP A 352
GLN A 348
ALA A 345
VAL A 326
 None
 1.27A 4uuuA-4arpA:
undetectable
4uuuB-4arpA:
undetectable		 4uuuA-4arpA:
19.24
4uuuB-4arpA:
19.24
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A 569
ASP A 369
HIS A 587
VAL A 453
ASP A 373
 None
None
None
NAG  A3570 ( 2.1A)
None
 1.36A 4uuuA-4cakA:
undetectable
4uuuB-4cakA:
undetectable		 4uuuA-4cakA:
9.65
4uuuB-4cakA:
9.65
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 LEU A 240
PHE A 291
ALA A 288
THR A 235
ILE A 299
 None
 1.34A 4uuuA-4dwqA:
undetectable
4uuuB-4dwqA:
undetectable		 4uuuA-4dwqA:
15.56
4uuuB-4dwqA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ebz CHITIN ELICITOR
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF01476
(LysM) 		5 PHE A 201
ASP A 176
ALA A 182
VAL A 210
ILE A 207
 None
 1.30A 4uuuA-4ebzA:
undetectable
4uuuB-4ebzA:
undetectable		 4uuuA-4ebzA:
20.57
4uuuB-4ebzA:
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.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 PHE A 499
ASP A 503
GLN A 510
VAL A 174
ILE A 154
 None
GOL  A 601 ( 2.8A)
GOL  A 601 (-3.4A)
None
None
 1.40A 4uuuA-4f7aA:
undetectable
4uuuB-4f7aA:
undetectable		 4uuuA-4f7aA:
13.76
4uuuB-4f7aA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PHE A 370
ASP A 367
VAL A 251
THR A 223
ILE A 224
 None
 1.12A 4uuuA-4g1pA:
undetectable
4uuuB-4g1pA:
undetectable		 4uuuA-4g1pA:
16.56
4uuuB-4g1pA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ASP A 225
ALA A 253
VAL A 181
THR A 185
ILE A 189
 None
 1.17A 4uuuA-4gp1A:
undetectable
4uuuB-4gp1A:
undetectable		 4uuuA-4gp1A:
21.30
4uuuB-4gp1A:
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ASP A 225
GLN A 222
VAL A 181
THR A 185
ILE A 189
 None
 1.36A 4uuuA-4gp1A:
undetectable
4uuuB-4gp1A:
undetectable		 4uuuA-4gp1A:
21.30
4uuuB-4gp1A:
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.
4hjc ENVELOPE
GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF07245
(Phlebovirus_G2) 		5 LEU A 734
PHE A 866
ASP A 867
THR A 864
ILE A 863
 None
 1.18A 4uuuA-4hjcA:
undetectable
4uuuB-4hjcA:
undetectable		 4uuuA-4hjcA:
14.72
4uuuB-4hjcA:
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 LEU B 230
ASP B 244
ALA B 267
HIS B 243
ASP B 258
 None
MG  B 701 (-3.0A)
None
None
None
 1.36A 4uuuA-4hxeB:
undetectable
4uuuB-4hxeB:
undetectable		 4uuuA-4hxeB:
12.76
4uuuB-4hxeB:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 LEU B 427
ASP B 437
ALA B 426
ILE B 359
ASP B 360
 HEZ  B 705 ( 4.5A)
None
None
None
None
 1.29A 4uuuA-4hxeB:
undetectable
4uuuB-4hxeB:
undetectable		 4uuuA-4hxeB:
12.76
4uuuB-4hxeB:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i4z NAPHTHOATE SYNTHASE

(Synechocystis
sp. PCC 6803) 		PF00378
(ECH_1) 		5 LEU A 222
PHE A 226
ASP A 229
ALA A 225
ILE A 164
 None
 1.25A 4uuuA-4i4zA:
undetectable
4uuuB-4i4zA:
undetectable		 4uuuA-4i4zA:
20.92
4uuuB-4i4zA:
20.92
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 282
PHE A 131
ALA A 134
ILE A  66
ASP A  67
 None
 1.31A 4uuuA-4jxkA:
undetectable
4uuuB-4jxkA:
undetectable		 4uuuA-4jxkA:
24.72
4uuuB-4jxkA:
24.72
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.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 LEU A  33
ASP A  60
ALA A  57
VAL A  46
ILE A  41
 None
 1.40A 4uuuA-4lvuA:
undetectable
4uuuB-4lvuA:
undetectable		 4uuuA-4lvuA:
21.40
4uuuB-4lvuA:
21.40
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 5 ALA A 403
HIS A 151
THR A 182
ILE A 180
ASP A 231
 None
 1.36A 4uuuA-4nuzA:
undetectable
4uuuB-4nuzA:
undetectable		 4uuuA-4nuzA:
10.07
4uuuB-4nuzA:
10.07
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.
4p4s INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 PHE A 309
ASP A 311
ALA A 318
VAL A 264
ASP A 262
 None
 1.20A 4uuuA-4p4sA:
undetectable
4uuuB-4p4sA:
undetectable		 4uuuA-4p4sA:
20.45
4uuuB-4p4sA:
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.
4p4s INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 PHE B 309
ASP B 311
ALA B 318
VAL B 264
ASP B 262
 None
 1.20A 4uuuA-4p4sB:
undetectable
4uuuB-4p4sB:
undetectable		 4uuuA-4p4sB:
18.55
4uuuB-4p4sB:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u8d SORCIN

(Homo sapiens) 		PF13405
(EF-hand_6)
PF13833
(EF-hand_8) 		5 LEU A  54
ASP A  83
ALA A  51
ASP A  46
ASP A  85
 None
MG  A 201 (-3.2A)
None
None
MG  A 201 (-2.8A)
 1.34A 4uuuA-4u8dA:
undetectable
4uuuB-4u8dA:
undetectable		 4uuuA-4u8dA:
20.49
4uuuB-4u8dA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uuu CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00571
(CBS) 		9 LEU A 423
PHE A 443
ASP A 444
GLN A 445
ALA A 446
VAL A 533
THR A 535
ILE A 537
ASP A 538
 SAM  A1546 (-4.5A)
SAM  A1546 (-3.5A)
SAM  A1546 ( 3.2A)
SAM  A1546 (-3.0A)
SAM  A1546 ( 3.7A)
SAM  A1546 (-4.5A)
SAM  A1546 (-2.9A)
None
SAM  A1546 ( 2.9A)
 0.00A 4uuuA-4uuuA:
26.6
4uuuB-4uuuA:
21.4		 4uuuA-4uuuA:
100.00
4uuuB-4uuuA:
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.
4x7m TARM

(Staphylococcus
aureus) 		PF00534
(Glycos_transf_1) 		5 ALA A 450
HIS A 444
THR A 399
ILE A 333
ASP A 334
 None
 1.18A 4uuuA-4x7mA:
undetectable
4uuuB-4x7mA:
undetectable		 4uuuA-4x7mA:
14.78
4uuuB-4x7mA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y97 DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF08996
(zf-DNA_Pol) 		5 LEU B1417
PHE B1296
ASP B1297
ILE B1398
ASP B1293
 None
 1.38A 4uuuA-4y97B:
undetectable
4uuuB-4y97B:
undetectable		 4uuuA-4y97B:
21.55
4uuuB-4y97B:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z6g MICROTUBULE-ACTIN
CROSS-LINKING FACTOR
1, ISOFORMS 1/2/3/5

(Homo sapiens) 		PF00307
(CH) 		5 LEU A 199
ALA A 198
VAL A 208
ASP A 206
ASP A 280
 None
 1.15A 4uuuA-4z6gA:
undetectable
4uuuB-4z6gA:
undetectable		 4uuuA-4z6gA:
17.09
4uuuB-4z6gA:
17.09
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.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		5 LEU 6  95
ALA 6  63
HIS 6  82
ILE 6 101
ASP 6 102
 None
 1.04A 4uuuA-5ady6:
undetectable
4uuuB-5ady6:
undetectable		 4uuuA-5ady6:
15.20
4uuuB-5ady6:
15.20
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 174
ASP A 180
GLN A 176
ALA A 173
ILE A 263
 None
 1.38A 4uuuA-5cdeA:
undetectable
4uuuB-5cdeA:
undetectable		 4uuuA-5cdeA:
17.63
4uuuB-5cdeA:
17.63
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA C  45
VAL C 198
THR C 205
ILE C 233
ASP C 497
 IOD  C1732 ( 4.3A)
None
None
None
None
 1.31A 4uuuA-5g5gC:
undetectable
4uuuB-5g5gC:
undetectable		 4uuuA-5g5gC:
13.37
4uuuB-5g5gC:
13.37
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 PHE A 428
GLN A 431
ALA A 429
ILE A  26
ASP A  69
 None
 1.25A 4uuuA-5gnxA:
undetectable
4uuuB-5gnxA:
undetectable		 4uuuA-5gnxA:
15.14
4uuuB-5gnxA:
15.14
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 LEU B 128
ASP B 430
GLN B 132
ILE B 434
ASP B 501
 None
 1.29A 4uuuA-5iklB:
undetectable
4uuuB-5iklB:
undetectable		 4uuuA-5iklB:
13.24
4uuuB-5iklB:
13.24
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 155
ASP A 154
ALA A 159
ILE A 137
ASP A 196
 None
6G2  A 901 (-3.4A)
None
None
None
 1.39A 4uuuA-5j5tA:
undetectable
4uuuB-5j5tA:
undetectable		 4uuuA-5j5tA:
17.84
4uuuB-5j5tA:
17.84
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.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22) 		5 LEU A 126
GLN A 134
VAL A 145
THR A 316
ILE A 108
 None
 1.18A 4uuuA-5jmvA:
undetectable
4uuuB-5jmvA:
undetectable		 4uuuA-5jmvA:
21.48
4uuuB-5jmvA:
21.48
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.
5klp ORF34

(Pseudomonas
syringae) 		PF03421
(Acetyltransf_14) 		5 ASP A  77
GLN A  73
ALA A  70
VAL A  61
ILE A  54
 None
 1.38A 4uuuA-5klpA:
undetectable
4uuuB-5klpA:
undetectable		 4uuuA-5klpA:
19.20
4uuuB-5klpA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kws GALACTOSE-BINDING
PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 LEU A 255
ALA A 237
VAL A 235
ASP A 154
ASP A  14
 None
None
None
BGC  A 401 (-3.5A)
BGC  A 401 (-2.9A)
 1.37A 4uuuA-5kwsA:
undetectable
4uuuB-5kwsA:
undetectable		 4uuuA-5kwsA:
19.65
4uuuB-5kwsA:
19.65
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 LEU A 239
PHE A 243
GLN A  82
THR A  63
ILE A  62
 None
SLB  A 503 (-3.6A)
SLB  A 503 (-3.1A)
SLB  A 503 (-3.0A)
SLB  A 503 (-3.5A)
 1.40A 4uuuA-5nvaA:
undetectable
4uuuB-5nvaA:
undetectable		 4uuuA-5nvaA:
undetectable
4uuuB-5nvaA:
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A 238
ALA A 241
HIS A 246
ASP A 207
ASP A 251
 None
 1.37A 4uuuA-5opjA:
undetectable
4uuuB-5opjA:
undetectable		 4uuuA-5opjA:
undetectable
4uuuB-5opjA:
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.
5ore OCTOPINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 PHE A 102
HIS A 280
VAL A 232
ILE A 252
ASP A 249
 None
 1.30A 4uuuA-5oreA:
undetectable
4uuuB-5oreA:
undetectable		 4uuuA-5oreA:
undetectable
4uuuB-5oreA:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 LEU A 192
PHE A 255
ASP A 256
ALA A 252
VAL A 260
 None
 1.40A 4uuuA-5td7A:
undetectable
4uuuB-5td7A:
undetectable		 4uuuA-5td7A:
13.67
4uuuB-5td7A:
13.67
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.
5tj6 HIGH CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL

(Aplysia
californica) 		PF00520
(Ion_trans)
PF03493
(BK_channel_a) 		5 LEU A 203
ALA A 200
THR A 178
ILE A 179
ASP A 175
 None
 1.38A 4uuuA-5tj6A:
undetectable
4uuuB-5tj6A:
undetectable		 4uuuA-5tj6A:
9.72
4uuuB-5tj6A:
9.72
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.
5tw7 GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Neisseria
gonorrhoeae) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 222
GLN A 324
ALA A 323
ILE A 306
ASP A 310
 None
 1.34A 4uuuA-5tw7A:
undetectable
4uuuB-5tw7A:
undetectable		 4uuuA-5tw7A:
16.82
4uuuB-5tw7A:
16.82
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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 172
ASP A 137
ALA A 142
HIS A 114
VAL A 128
 None
 1.40A 4uuuA-5uidA:
undetectable
4uuuB-5uidA:
undetectable		 4uuuA-5uidA:
17.91
4uuuB-5uidA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vld HISTIDINOL
DEHYDROGENASE,
CHLOROPLASTIC

(Medicago
truncatula) 		PF00815
(Histidinol_dh) 		5 LEU A 297
GLN A 299
ALA A 300
HIS A 408
VAL A 279
 None
HIS  A 501 ( 3.3A)
None
HIS  A 501 ( 3.4A)
None
 1.40A 4uuuA-5vldA:
undetectable
4uuuB-5vldA:
undetectable		 4uuuA-5vldA:
17.73
4uuuB-5vldA:
17.73
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 ASP A 260
ALA A 324
HIS A  99
ASP A  96
ASP A 103
 None
 1.23A 4uuuA-5xaoA:
undetectable
4uuuB-5xaoA:
undetectable		 4uuuA-5xaoA:
14.83
4uuuB-5xaoA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 137
PHE A 160
ASP A 159
ALA A 163
ILE A 147
 None
None
CJJ  A 301 (-4.3A)
None
None
 1.39A 4uuuA-6b2qA:
undetectable
4uuuB-6b2qA:
undetectable		 4uuuA-6b2qA:
undetectable
4uuuB-6b2qA:
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.
6bym STEROL-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 104
GLN A 178
VAL A 136
THR A 156
ILE A 155
 HC3  A 301 ( 4.6A)
HC3  A 301 ( 3.4A)
HC3  A 301 ( 4.2A)
None
None
 1.30A 4uuuA-6bymA:
undetectable
4uuuB-6bymA:
undetectable		 4uuuA-6bymA:
undetectable
4uuuB-6bymA:
undetectable