SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUC_A_SAMA303

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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		5 MET A 200
ASN A 199
VAL A 198
ILE A  89
ILE A  88
 None
 1.42A 4xucA-1awbA:
undetectable		 4xucA-1awbA:
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		5 VAL A 494
GLU A 308
GLY A 307
TYR A 309
ILE A 281
 None
 1.30A 4xucA-1f0xA:
undetectable		 4xucA-1f0xA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A  94
VAL A  98
GLY A   7
ILE A  37
GLN A  39
 NAD  A1306 (-4.1A)
None
NAD  A1306 ( 4.1A)
None
None
 1.08A 4xucA-1gv0A:
6.9		 4xucA-1gv0A:
23.57
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A  66
VAL A  67
GLY A 256
ILE A 214
HIS A 213
 None
 1.37A 4xucA-1hkwA:
undetectable		 4xucA-1hkwA:
18.02
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A  67
GLY A 256
ILE A 214
GLN A 181
HIS A 213
 None
 1.24A 4xucA-1hkwA:
undetectable		 4xucA-1hkwA:
18.02
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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 ASN A 247
GLY A 188
TYR A 246
ILE A 238
ILE A 223
 None
None
2PE  A 503 ( 4.1A)
None
None
 1.39A 4xucA-1icpA:
undetectable		 4xucA-1icpA:
20.32
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		5 ASN A1024
VAL A1023
GLY A1426
ILE A1178
GLN A1430
 None
 1.40A 4xucA-1qhmA:
2.0		 4xucA-1qhmA:
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A  86
 SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 1.39A 4xucA-1susA:
20.9		 4xucA-1susA:
24.51
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
 0.75A 4xucA-1susA:
20.9		 4xucA-1susA:
24.51
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ASN A 280
VAL A 281
GLY A 156
TYR A 276
ILE A 154
 None
 1.31A 4xucA-1szqA:
undetectable		 4xucA-1szqA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ASN A 280
VAL A 281
GLY A 156
TYR A 276
ILE A 158
 None
 1.42A 4xucA-1szqA:
undetectable		 4xucA-1szqA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t8q GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PERIPLASMIC

(Escherichia
coli) 		PF03009
(GDPD) 		5 VAL A  85
TYR A 102
ILE A 105
GLN A 180
HIS A  80
 None
 1.37A 4xucA-1t8qA:
undetectable		 4xucA-1t8qA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 MET A 266
GLU A 278
GLY A 279
ILE A 289
ILE A 288
 None
 1.24A 4xucA-1ti8A:
undetectable		 4xucA-1ti8A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 MET A 481
GLY A 527
TYR A 494
TYR A 493
GLN A 336
 None
 1.25A 4xucA-1ulvA:
undetectable		 4xucA-1ulvA:
11.82
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.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 VAL A 283
GLU A 123
GLY A 206
TYR A 208
ILE A 219
 None
 1.24A 4xucA-1urxA:
undetectable		 4xucA-1urxA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLU A  76
GLY A  78
TYR A  83
ILE A  77
ILE A 100
 None
 1.48A 4xucA-1vbfA:
8.8		 4xucA-1vbfA:
22.43
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 VAL A  15
TYR A 113
ILE A 170
ILE A 160
TRP A 245
 None
 1.46A 4xucA-1w6sA:
undetectable		 4xucA-1w6sA:
17.35
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.
1wmm HYPOTHETICAL UPF0310
PROTEIN PH1033

(Pyrococcus
horikoshii) 		PF01878
(EVE) 		5 ASN A  20
VAL A  21
TYR A  64
ILE A   5
ILE A  60
 None
 1.44A 4xucA-1wmmA:
undetectable		 4xucA-1wmmA:
16.89
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 GLY A 152
TYR A 248
ILE A 154
ILE A 243
HIS A 195
 None
 1.20A 4xucA-1xfkA:
3.8		 4xucA-1xfkA:
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ASN I 269
VAL I 268
GLY I 272
ILE I 273
GLN I 136
 None
None
None
None
NDP  I 600 (-4.0A)
 1.02A 4xucA-1yveI:
4.5		 4xucA-1yveI:
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.
1zbm HYPOTHETICAL PROTEIN
AF1704

(Archaeoglobus
fulgidus) 		PF02621
(VitK2_biosynth) 		5 GLY A 175
TYR A 232
TYR A 236
ILE A  55
ILE A  38
 None
 1.25A 4xucA-1zbmA:
undetectable		 4xucA-1zbmA:
21.83
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 GLY C 115
TYR C 117
ILE C 112
ILE C 110
HIS C 111
 None
None
HEM  C 502 (-3.5A)
None
HEM  C 502 (-3.1A)
 1.37A 4xucA-1zrtC:
undetectable		 4xucA-1zrtC:
20.27
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 ASN A 325
VAL A 324
GLY A 329
TYR A 327
ILE A 318
 None
 1.43A 4xucA-2b2iA:
undetectable		 4xucA-2b2iA:
19.80
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.
2dce KIAA1915 PROTEIN

(Homo sapiens) 		PF04433
(SWIRM) 		5 ASN A 110
VAL A 108
GLY A  98
ILE A  20
TRP A  61
 None
 1.22A 4xucA-2dceA:
undetectable		 4xucA-2dceA:
17.51
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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 ASN A  34
GLU A  27
GLY A  29
ILE A  49
ILE A  51
 None
 0.77A 4xucA-2h1rA:
12.8		 4xucA-2h1rA:
23.71
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 VAL A  96
GLY A   9
TYR A  65
GLN A 163
HIS A  91
 None
 1.21A 4xucA-2h1yA:
undetectable		 4xucA-2h1yA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 VAL A 604
GLU A  82
GLY A  79
ILE A  61
HIS A  77
 None
 1.38A 4xucA-2ozoA:
undetectable		 4xucA-2ozoA:
16.37
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 ASN A 245
GLY A 242
TYR A 244
ILE A  69
ILE A  66
 None
 1.30A 4xucA-2pbyA:
undetectable		 4xucA-2pbyA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 GLU A 795
GLY A 796
TYR A 781
ILE A 803
ILE A 788
 None
CA  A  16 ( 4.7A)
None
None
None
 1.45A 4xucA-2rhpA:
undetectable		 4xucA-2rhpA:
16.75
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.
2w01 ADENYLATE CYCLASE

(Synechocystis
sp. PCC 6803) 		PF00211
(Guanylate_cyc) 		5 MET A 518
GLU A 575
GLY A 542
ILE A 574
ILE A 585
 None
 1.48A 4xucA-2w01A:
undetectable		 4xucA-2w01A:
22.18
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ASN A 229
VAL A 227
TYR A 231
ILE A 242
GLN A 293
 None
B12  A 800 (-4.5A)
None
None
None
 1.44A 4xucA-2xijA:
3.9		 4xucA-2xijA:
15.42
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.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A 261
VAL A 259
GLU A 398
GLY A 399
ILE A 396
 None
 1.46A 4xucA-2z1qA:
undetectable		 4xucA-2z1qA:
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ASN A 187
VAL A 185
GLY A 179
ILE A 123
GLN A 145
 None
 1.44A 4xucA-2zygA:
6.9		 4xucA-2zygA:
17.86
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.41A 4xucA-3akfA:
undetectable		 4xucA-3akfA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ILE A  89
ILE A  91
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.27A 4xucA-3bwmA:
40.9		 4xucA-3bwmA:
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 MET A  52
GLU A  76
GLY A  78
TYR A  83
ILE A 101
 SAH  A 464 (-3.9A)
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
None
 0.57A 4xucA-3c3yA:
21.8		 4xucA-3c3yA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkz THIOESTERASE
SUPERFAMILY PROTEIN

(Bordetella
parapertussis) 		PF03061
(4HBT) 		5 MET A 112
ASN A 113
GLU A 141
GLY A 142
ILE A 126
 None
 1.16A 4xucA-3dkzA:
undetectable		 4xucA-3dkzA:
21.59
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.
3dty OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 146
ILE A 150
GLN A 271
HIS A 147
TRP A 333
 None
 1.48A 4xucA-3dtyA:
4.8		 4xucA-3dtyA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 VAL A 173
GLU A 124
GLY A 155
GLN A 105
HIS A 159
 None
 1.37A 4xucA-3h0uA:
undetectable		 4xucA-3h0uA:
23.78
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.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 234
GLY A 195
TYR A 237
GLN A 288
HIS A 187
 None
None
None
PEG  A 384 (-3.5A)
LLP  A 190 (-4.2A)
 1.35A 4xucA-3ju7A:
undetectable		 4xucA-3ju7A:
20.21
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.
3juj UDP-GLUCOSE
PYROPHOSPHORYLASE
(GALU)

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		5 GLU A 227
GLY A 107
ILE A 228
ILE A 112
HIS A 110
 None
 1.11A 4xucA-3jujA:
undetectable		 4xucA-3jujA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 VAL X 179
TYR X 139
ILE X  91
ILE X  99
TRP X  94
 None
 1.08A 4xucA-3mbrX:
undetectable		 4xucA-3mbrX:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwy CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF00385
(Chromo) 		5 ASN W 459
GLU W 501
TYR W 494
ILE W 505
ILE W 429
 None
 1.47A 4xucA-3mwyW:
2.8		 4xucA-3mwyW:
14.73
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 1.15A 4xucA-3ntvA:
20.9		 4xucA-3ntvA:
21.31
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ILE A 101
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.27A 4xucA-3ntvA:
20.9		 4xucA-3ntvA:
21.31
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASN A 653
GLY A 548
ILE A 545
GLN A 691
HIS A 568
 None
 1.44A 4xucA-3szeA:
undetectable		 4xucA-3szeA:
11.70
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.
3th6 TRIOSEPHOSPHATE
ISOMERASE

(Rhipicephalus
microplus) 		PF00121
(TIM) 		5 GLU A 111
GLY A 110
ILE A 109
ILE A 150
HIS A 149
 None
 1.33A 4xucA-3th6A:
undetectable		 4xucA-3th6A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 VAL A  25
GLU A  38
GLY A 105
TYR A  49
ILE A  39
 None
 1.36A 4xucA-3tqsA:
13.3		 4xucA-3tqsA:
22.76
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 5 GLY A 322
TYR A 206
ILE A 347
ILE A 324
TRP A 333
 None
 1.22A 4xucA-3uxfA:
undetectable		 4xucA-3uxfA:
19.91
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLU A  65
GLY A  64
TYR A 198
ILE A  59
HIS A  60
 None
 1.29A 4xucA-3vywA:
11.7		 4xucA-3vywA:
25.24
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.47A 4xucA-4bz7A:
4.3		 4xucA-4bz7A:
18.75
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.32A 4xucA-4c30A:
3.3		 4xucA-4c30A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ASN A 114
VAL A 113
GLY A  60
ILE A  59
ILE A 490
 None
 1.32A 4xucA-4cj0A:
undetectable		 4xucA-4cj0A:
15.68
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 MET A 171
VAL A 173
GLY A 144
TYR A 146
ILE A  66
 None
 1.38A 4xucA-4fwtA:
undetectable		 4xucA-4fwtA:
10.87
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.
4i6n UBIQUITIN
CARBOXYL-HYDROLASE

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.30A 4xucA-4i6nA:
undetectable		 4xucA-4i6nA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.24A 4xucA-4ig7A:
undetectable		 4xucA-4ig7A:
19.71
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.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 MET A  45
VAL A  42
GLU A  75
ILE A  77
ILE A  85
 None
 1.47A 4xucA-4lkrA:
undetectable		 4xucA-4lkrA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASN A  92
GLY A  12
ILE A  13
ILE A  78
GLN A  28
 None
 1.09A 4xucA-4lsmA:
3.9		 4xucA-4lsmA:
22.29
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.
4o1s V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermoplasma
volcanium) 		PF14890
(Intein_splicing) 		5 VAL A 122
TYR A  55
TYR A  57
ILE A  22
ILE A  20
 None
None
SO4  A 203 (-4.3A)
None
None
 1.42A 4xucA-4o1sA:
undetectable		 4xucA-4o1sA:
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 GLU A  78
GLY A  80
TYR A  85
ILE A 103
ILE A 105
 SAH  A 500 (-4.3A)
SAH  A 500 (-3.1A)
None
None
SAH  A 500 (-3.7A)
 0.62A 4xucA-4o29A:
11.3		 4xucA-4o29A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 114
ILE A 134
GLN A 163
HIS A 185
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
2F6  A 301 (-3.8A)
None
 0.34A 4xucA-4p58A:
33.2		 4xucA-4p58A:
81.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q4a UNCHARACTERIZED ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0288

(Thermotoga
maritima) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 VAL B 522
GLU B 517
ILE B 545
ILE B 553
HIS B 548
 None
 1.41A 4xucA-4q4aB:
undetectable		 4xucA-4q4aB:
14.38
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 VAL A  30
GLY A 137
ILE A 138
ILE A  69
TRP A 416
 None
 1.31A 4xucA-4qiqA:
undetectable		 4xucA-4qiqA:
17.86
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.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 ASN A 228
GLY A 502
ILE A 504
ILE A 508
HIS A 464
 AIR  A 702 ( 2.8A)
None
None
None
None
 1.22A 4xucA-4s28A:
undetectable		 4xucA-4s28A:
18.02
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ASN A 543
GLU A 560
GLY A 561
ILE A 562
ILE A 621
 None
 1.45A 4xucA-4u90A:
undetectable		 4xucA-4u90A:
18.98
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 VAL A  94
GLY A 344
ILE A  73
GLN A 298
HIS A  68
 None
None
MPD  A 502 (-4.4A)
None
MPD  A 502 (-3.7A)
 1.41A 4xucA-4wgxA:
undetectable		 4xucA-4wgxA:
19.11
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.
4wp3 MA1120

(Mycobacterium
avium) 		PF00211
(Guanylate_cyc) 		5 MET A 165
ASN A 162
VAL A 163
GLY A 145
ILE A 178
 None
 1.37A 4xucA-4wp3A:
undetectable		 4xucA-4wp3A:
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.
4x7m TARM

(Staphylococcus
aureus) 		PF00534
(Glycos_transf_1) 		5 VAL A 457
GLY A 322
ILE A 354
ILE A 324
HIS A 353
 None
 1.20A 4xucA-4x7mA:
5.0		 4xucA-4x7mA:
16.67
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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 VAL A 223
GLY A 275
ILE A 277
ILE A 298
GLN A 316
 None
 1.40A 4xucA-5ahmA:
undetectable		 4xucA-5ahmA:
18.92
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 VAL A 223
GLY A 275
ILE A 277
ILE A 298
GLN A 316
 None
 1.36A 4xucA-5ahnA:
undetectable		 4xucA-5ahnA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aju PHOSPHORIBOHYDROLASE
LONELY GUY

(Claviceps
purpurea) 		PF03641
(Lysine_decarbox) 		5 VAL A  77
GLY A  88
TYR A 119
ILE A  89
ILE A  90
 None
 1.46A 4xucA-5ajuA:
undetectable		 4xucA-5ajuA:
19.44
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ASN A 376
GLU A 398
GLY A 373
GLN A 415
HIS A 319
 None
MLI  A 805 ( 3.2A)
None
None
None
 1.34A 4xucA-5bv9A:
undetectable		 4xucA-5bv9A:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		5 ASN A 252
GLU A 191
GLY A 190
ILE A 198
ILE A 188
 None
 1.39A 4xucA-5f1uA:
undetectable		 4xucA-5f1uA:
23.08
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
 1.26A 4xucA-5fnuA:
undetectable		 4xucA-5fnuA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
 1.48A 4xucA-5fnuA:
undetectable		 4xucA-5fnuA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN B 699
GLU B 703
GLY B  70
ILE B  68
ILE B  73
 None
 1.13A 4xucA-5fq6B:
undetectable		 4xucA-5fq6B:
11.12
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 GLU A 342
GLY A 323
TYR A 296
ILE A 324
HIS A 321
 None
 1.48A 4xucA-5fzpA:
undetectable		 4xucA-5fzpA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 VAL A  41
GLU A 342
GLY A 323
ILE A 324
HIS A 321
 None
 1.38A 4xucA-5fzpA:
undetectable		 4xucA-5fzpA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
None
None
PC1  A1906 ( 4.8A)
PC1  A1903 ( 4.5A)
 1.33A 4xucA-5gjvA:
undetectable		 4xucA-5gjvA:
7.63
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 GLU A 459
GLY A 467
TYR A 272
ILE A 453
HIS A 468
 None
 1.43A 4xucA-5i5hA:
undetectable		 4xucA-5i5hA:
16.16
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 100
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 1.37A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.53A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.64A 4xucA-5kvaA:
21.1		 4xucA-5kvaA:
23.21
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.
5m95 DIVALENT METAL
CATION TRANSPORTER
MNTH

(Staphylococcus
capitis) 		PF01566
(Nramp) 		5 MET A 226
GLY A 334
TYR A 231
ILE A 332
GLN A 328
 MN  A 501 (-2.6A)
None
None
None
None
 1.42A 4xucA-5m95A:
undetectable		 4xucA-5m95A:
19.32
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 VAL A  41
GLU A  63
GLY A  65
TYR A  70
ILE A  88
 SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
None
SAM  A 306 ( 4.2A)
 0.39A 4xucA-5n5dA:
22.8		 4xucA-5n5dA:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 VAL A 146
TYR A 154
ILE A  97
GLN A  99
HIS A 150
 None
 1.44A 4xucA-5o3zA:
8.1		 4xucA-5o3zA:
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 GLU A 340
GLY A 459
ILE A 460
ILE A 451
GLN A 446
 None
 1.43A 4xucA-5u47A:
undetectable		 4xucA-5u47A:
15.89
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.44A 4xucA-5x49A:
undetectable		 4xucA-5x49A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLU A  64
GLY A  66
ILE A  89
ILE A  91
 SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.9A)
 0.41A 4xucA-5x7fA:
20.7		 4xucA-5x7fA:
24.21
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 VAL A 224
GLY A 185
TYR A 240
ILE A 144
ILE A 147
 None
 1.03A 4xucA-5x8hA:
7.4		 4xucA-5x8hA:
21.37
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 ASN A  85
GLU A  91
TYR A  87
ILE A 128
GLN A 243
 None
 1.06A 4xucA-5xb6A:
2.8		 4xucA-5xb6A:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 VAL A 598
GLU A 486
GLY A 487
TYR A 489
ILE A 446
 None
 1.33A 4xucA-5ydjA:
undetectable		 4xucA-5ydjA:
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 5 ASN A 459
VAL A 460
GLY A 466
ILE A 470
ILE A 522
 FAD  A 801 (-4.9A)
FAD  A 801 (-4.8A)
None
None
None
 1.25A 4xucA-5ys9A:
undetectable		 4xucA-5ys9A:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 VAL A 361
GLY A 395
TYR A 397
ILE A 394
GLN A 137
 None
 1.38A 4xucA-5z0uA:
undetectable		 4xucA-5z0uA:
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.
6acd -

(-) 		no annotation 5 ASN A  96
VAL A  97
GLY A 100
ILE A 115
ILE A 125
 None
 1.46A 4xucA-6acdA:
undetectable		 4xucA-6acdA:
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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 MET A  67
GLU A  61
ILE A 162
GLN A 188
HIS A 139
 None
 1.45A 4xucA-6b2qA:
undetectable		 4xucA-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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
 1.34A 4xucA-6byoA:
undetectable		 4xucA-6byoA:
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.
6cuf


(;
) 		no annotation
no annotation 		5 ASN 5  23
VAL 5  24
ILE 5  37
ILE 5  89
GLN 6  38
 None
 1.42A 4xucA-6cuf5:
undetectable		 4xucA-6cuf5:
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.
6fmq -

(-) 		no annotation 5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.28A 4xucA-6fmqA:
undetectable		 4xucA-6fmqA:
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.
6fmq -

(-) 		no annotation 5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.47A 4xucA-6fmqA:
undetectable		 4xucA-6fmqA:
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 102
GLU A  99
SER A 295
ASP A 398
 None
 1.47A 4xucA-1coyA:
0.0		 4xucA-1coyA:
17.38
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 SER A 645
GLU A 351
SER A 107
ASP A 410
 None
 1.46A 4xucA-2i7xA:
2.4		 4xucA-2i7xA:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.25A 4xucA-2whlA:
0.6		 4xucA-2whlA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.21A 4xucA-3bwmA:
40.9		 4xucA-3bwmA:
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 SER A 145
GLU A 150
SER A 109
ASP A 113
 None
 1.47A 4xucA-3fbqA:
0.0		 4xucA-3fbqA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.35A 4xucA-3myrA:
undetectable		 4xucA-3myrA:
23.05
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 144
GLU A 254
SER A 279
ASP A 331
 None
MG  A 390 (-2.6A)
None
None
 1.29A 4xucA-3ozyA:
0.6		 4xucA-3ozyA:
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 SER A 202
GLU A 247
SER A 498
ASP A 319
 None
 1.18A 4xucA-3qdkA:
0.5		 4xucA-3qdkA:
17.97
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		4 SER A 348
GLU A 288
SER A 212
ASP A 219
 None
 1.42A 4xucA-3qpfA:
undetectable		 4xucA-3qpfA:
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 SER A 245
GLU A 106
SER A 103
ASP A 126
 None
 1.28A 4xucA-3wcyA:
undetectable		 4xucA-3wcyA:
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 SER E 622
GLU E 584
SER E 631
ASP E 624
 None
 1.11A 4xucA-4a0lE:
undetectable		 4xucA-4a0lE:
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 SER A  74
GLU A  94
SER A  69
ASP A  51
 None
 1.38A 4xucA-4kngA:
undetectable		 4xucA-4kngA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		4 SER A 115
GLU A 133
SER A 162
ASP A 184
 None
2F6  A 301 (-2.7A)
2F6  A 301 (-3.2A)
None
 0.76A 4xucA-4p58A:
33.2		 4xucA-4p58A:
81.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl4 GTP CYCLOHYDROLASE-2

(Helicobacter
pylori) 		PF00925
(GTP_cyclohydro2) 		4 SER A  63
GLU A  92
SER A  53
ASP A  67
 None
None
PPV  A 201 ( 4.8A)
None
 1.46A 4xucA-4rl4A:
2.3		 4xucA-4rl4A:
22.37
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 SER A  74
GLU A  94
SER A  69
ASP A  51
 None
 1.27A 4xucA-4ufsA:
undetectable		 4xucA-4ufsA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 SER b 389
GLU b  87
SER b  81
ASP b  90
 None
 1.06A 4xucA-5gw5b:
undetectable		 4xucA-5gw5b:
16.89
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER D 552
GLU D 531
SER F 240
ASP F 219
 None
 1.18A 4xucA-5mg3D:
undetectable		 4xucA-5mg3D:
19.11
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.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		4 SER A  89
GLU A 144
SER A 146
ASP A  85
 None
None
GNP  A 203 (-3.5A)
None
 1.36A 4xucA-5wdrA:
3.0		 4xucA-5wdrA:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 4 SER A 454
GLU A 291
SER A  87
ASP A 451
 None
 1.32A 4xucA-6gctA:
undetectable		 4xucA-6gctA:
undetectable