SIMILAR PATTERNS OF AMINO ACIDS FOR 1FFY_A_MRCA1993

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.
1b4t PROTEIN (CU/ZN
SUPEROXIDE
DISMUTASE)

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		5 PRO A 142
GLY A  85
GLY A 138
ASP A 125
HIS A  71
 None
None
None
None
ZN  A 155 ( 3.2A)
 1.25A 1ffyA-1b4tA:
undetectable		 1ffyA-1b4tA:
9.62
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A  49
ASN A  45
GLY A  44
PHE A  47
MET A 234
 None
 1.29A 1ffyA-1e5fA:
undetectable		 1ffyA-1e5fA:
18.85
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.
1gso PROTEIN (GLYCINAMIDE
RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 368
ASN A  34
GLY A  10
ASP A 293
VAL A 384
 None
 1.06A 1ffyA-1gsoA:
undetectable		 1ffyA-1gsoA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		6 HIS A  57
GLY A  56
SER A 521
GLY A 551
GLN A 554
HIS A 581
 None
 1.21A 1ffyA-1ileA:
32.9		 1ffyA-1ileA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		8 PRO A  46
GLY A  56
SER A 521
GLY A 551
ASP A 553
GLN A 554
HIS A 581
MET A 592
 None
 0.86A 1ffyA-1ileA:
32.9		 1ffyA-1ileA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		8 PRO A  46
HIS A  54
GLY A  56
SER A 521
GLY A 551
GLN A 554
HIS A 581
MET A 592
 None
 0.73A 1ffyA-1ileA:
32.9		 1ffyA-1ileA:
30.94
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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A  37
GLY A  39
GLY A 227
ASP A 229
VAL A 260
 None
 0.57A 1ffyA-1li7A:
20.5		 1ffyA-1li7A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 PRO A  11
GLY A 107
ASN A 113
SER A  68
GLY A 111
 None
 1.12A 1ffyA-1nb2A:
undetectable		 1ffyA-1nb2A:
9.70
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 HIS A 238
ASN A 268
GLY A 203
ASP A 208
VAL A 200
 None
 1.29A 1ffyA-1q50A:
undetectable		 1ffyA-1q50A:
21.82
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 PRO A  30
GLY A 133
ASP A 134
PHE A 137
VAL A 138
 None
None
ZN  A 262 ( 2.4A)
GSH  A 463 (-4.9A)
None
 1.03A 1ffyA-1qh5A:
undetectable		 1ffyA-1qh5A:
14.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 HIS A  67
GLY A  66
GLY A 555
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.13A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 HIS A  67
SER A 565
GLY A 555
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.25A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 HIS A  67
SER A 566
GLY A 555
ASP A 557
GLN A 558
HIS A 585
 MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
 1.27A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		12 PRO A  56
HIS A  64
GLY A  66
ASN A  70
SER A 531
GLY A 555
ASP A 557
GLN A 558
HIS A 585
PHE A 587
VAL A 588
MET A 596
 MRC  A1993 (-3.4A)
MRC  A1993 (-4.1A)
MRC  A1993 ( 3.7A)
MRC  A1993 ( 4.2A)
MRC  A1993 ( 4.0A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.5A)
MRC  A1993 (-3.9A)
None
 0.07A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 PRO A  57
GLY A 555
ASP A 557
GLN A 558
HIS A 585
PHE A 587
 MRC  A1993 ( 4.7A)
MRC  A1993 (-3.8A)
MRC  A1993 (-3.2A)
MRC  A1993 (-3.5A)
MRC  A1993 (-4.5A)
MRC  A1993 (-3.5A)
 1.29A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 348
ASN A  35
GLY A  13
ASP A 280
VAL A 363
 None
 1.22A 1ffyA-1vkzA:
undetectable		 1ffyA-1vkzA:
18.05
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  53
SER A 532
GLY A 610
ASP A 612
MET A 651
 None
 0.99A 1ffyA-1wkbA:
25.1		 1ffyA-1wkbA:
24.07
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 HIS A  53
SER A 532
GLY A 610
ASP A 612
MET A 651
 None
 1.07A 1ffyA-1wz2A:
25.9		 1ffyA-1wz2A:
25.05
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.
1ydn HYDROXYMETHYLGLUTARY
L-COA LYASE

(Brucella
melitensis) 		PF00682
(HMGL-like) 		5 PRO A 239
GLY A 234
GLY A  15
ASP A  14
VAL A 232
 None
None
None
CA  A 601 (-2.7A)
None
 1.25A 1ffyA-1ydnA:
undetectable		 1ffyA-1ydnA:
15.77
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ASN A 211
GLY A 187
ASP A 184
GLN A 186
VAL A 181
 None
 1.12A 1ffyA-2b5mA:
undetectable		 1ffyA-2b5mA:
22.11
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
GLY A 257
ASP A 259
HIS A 286
 MSP  A 501 (-4.6A)
MSP  A 501 (-3.6A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
 0.79A 1ffyA-2ct8A:
25.0		 1ffyA-2ct8A:
22.20
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  24
GLY A  23
GLY A 257
ASP A 259
HIS A 286
 MSP  A 501 (-4.2A)
MSP  A 501 (-3.6A)
MSP  A 501 (-2.9A)
MSP  A 501 (-3.0A)
MSP  A 501 (-4.4A)
 1.19A 1ffyA-2ct8A:
25.0		 1ffyA-2ct8A:
22.20
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.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		6 HIS A  47
GLY A  49
GLY A 187
ASP A 189
GLN A 190
HIS A 223
 None
None
None
None
TYR  A 701 (-3.3A)
None
 0.66A 1ffyA-2cycA:
4.6		 1ffyA-2cycA:
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 PRO A  78
GLY A 415
ASN A  11
GLY A  10
ASP A   8
 None
ADP  A1001 (-3.6A)
ADP  A1001 (-4.4A)
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
 1.04A 1ffyA-2d0oA:
undetectable		 1ffyA-2d0oA:
21.45
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		5 HIS X  53
GLY X 189
ASP X 191
GLN X 192
VAL X 219
 YMP  X 601 (-4.3A)
YMP  X 601 (-2.8A)
YMP  X 601 (-3.2A)
YMP  X 601 (-3.4A)
YMP  X 601 (-3.8A)
 0.85A 1ffyA-2dlcX:
7.5		 1ffyA-2dlcX:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h84 STEELY1

(Dictyostelium
discoideum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PRO A2869
GLY A2982
PHE A3112
VAL A3110
MET A3114
 None
 1.28A 1ffyA-2h84A:
undetectable		 1ffyA-2h84A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfi CHLORIDE CHANNEL
PROTEIN CLC-KA

(Homo sapiens) 		PF00571
(CBS) 		5 GLY A 666
ASN A 552
SER A 573
PHE A 657
VAL A 658
 None
 1.22A 1ffyA-2pfiA:
undetectable		 1ffyA-2pfiA:
11.40
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		5 PRO A  67
ASN A  48
GLN A  64
PHE A  51
VAL A  42
 None
ADP  A 999 (-3.9A)
None
None
None
 1.22A 1ffyA-2pywA:
undetectable		 1ffyA-2pywA:
18.30
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.2A)
None
 1.02A 1ffyA-2qf7A:
undetectable		 1ffyA-2qf7A:
22.52
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 371
ASN A  36
GLY A  12
ASP A 295
VAL A 386
 None
 1.18A 1ffyA-2qk4A:
undetectable		 1ffyA-2qk4A:
19.33
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		6 GLY A 309
ASN A 328
GLY A 327
ASP A 326
GLN A 284
VAL A 332
 None
 1.38A 1ffyA-2qqpA:
undetectable		 1ffyA-2qqpA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		5 HIS A  22
GLY A  21
GLY A 263
ASP A 265
HIS A 292
 None
 1.23A 1ffyA-2x1mA:
22.7		 1ffyA-2x1mA:
21.81
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 362
ASN A  34
GLY A  10
ASP A 290
VAL A 377
 None
 1.29A 1ffyA-2ys6A:
undetectable		 1ffyA-2ys6A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 364
ASN A  34
GLY A  10
ASP A 290
VAL A 379
 None
 1.23A 1ffyA-2yw2A:
undetectable		 1ffyA-2yw2A:
19.78
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		5 HIS A  16
GLY A  18
GLY A 152
ASP A 154
GLN A 155
 SO4  A1362 ( 4.1A)
WSA  A1350 (-3.5A)
WSA  A1350 (-3.2A)
WSA  A1350 (-2.7A)
SO4  A1363 ( 3.2A)
 0.69A 1ffyA-2yy5A:
5.8		 1ffyA-2yy5A:
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.
2zua NUCLEOSIDE
DIPHOSPHATE KINASE

(Haloarcula
quadrata) 		PF00334
(NDK) 		5 PRO A  13
GLY A 109
ASN A 115
SER A  70
GLY A 113
 None
 1.25A 1ffyA-2zuaA:
undetectable		 1ffyA-2zuaA:
10.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 HIS A 135
GLY A 137
ASN A 141
GLY A 384
VAL A 418
 None
 0.75A 1ffyA-2zufA:
13.7		 1ffyA-2zufA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		5 HIS A  35
GLY A  37
GLY A 148
ASP A 151
VAL A 177
 PAJ  A 501 (-4.3A)
PAJ  A 501 ( 4.1A)
PAJ  A 501 (-3.1A)
PAJ  A 501 (-3.8A)
PAJ  A 501 (-3.9A)
 0.94A 1ffyA-3ag6A:
2.2		 1ffyA-3ag6A:
16.87
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.
3b54 NUCLEOSIDE
DIPHOSPHATE KINASE

(Saccharomyces
cerevisiae) 		PF00334
(NDK) 		5 PRO A  14
GLY A 110
ASN A 116
SER A  71
GLY A 114
 None
None
PO4  A 154 ( 4.3A)
None
None
 1.13A 1ffyA-3b54A:
undetectable		 1ffyA-3b54A:
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 HIS A  21
GLY A  23
GLY A 294
HIS A 323
VAL A 326
 None
 0.83A 1ffyA-3h9cA:
22.5		 1ffyA-3h9cA:
22.27
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 PRO A 575
GLY A 265
GLY A 268
ASP A 270
VAL A 248
 None
 1.13A 1ffyA-3hjeA:
undetectable		 1ffyA-3hjeA:
22.73
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 PRO T 682
GLY T 724
ASN T 728
SER T 626
PHE T 721
 None
 1.20A 1ffyA-3icqT:
undetectable		 1ffyA-3icqT:
23.18
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
GLY A 147
ASP A 150
VAL A 176
 ATP  A 300 (-4.5A)
ATP  A 300 ( 4.1A)
ATP  A 300 (-3.4A)
ATP  A 300 (-3.6A)
ATP  A 300 (-4.0A)
 0.96A 1ffyA-3innA:
4.6		 1ffyA-3innA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1u BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		5 HIS A 277
GLY A 259
ASN A 261
GLY A 197
ASP A 135
 TRS  A 801 (-4.5A)
None
None
TRS  A 801 ( 4.4A)
TRS  A 801 (-2.8A)
 1.23A 1ffyA-3k1uA:
undetectable		 1ffyA-3k1uA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 225
GLY A 227
GLY A 484
ASP A 486
HIS A 513
 POP  A 802 ( 4.0A)
ME8  A 801 (-3.4A)
ME8  A 801 (-3.2A)
ME8  A 801 ( 2.6A)
ME8  A 801 (-4.6A)
 0.80A 1ffyA-3kflA:
21.6		 1ffyA-3kflA:
21.82
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 HIS A 228
GLY A 227
GLY A 484
ASP A 486
HIS A 513
 POP  A 802 ( 3.8A)
ME8  A 801 (-3.4A)
ME8  A 801 (-3.2A)
ME8  A 801 ( 2.6A)
ME8  A 801 (-4.6A)
 1.05A 1ffyA-3kflA:
21.6		 1ffyA-3kflA:
21.82
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.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		5 HIS A 107
GLY A 108
ASN A 126
GLY A  80
VAL A  92
 ZN  A 194 (-3.4A)
None
None
None
None
 1.19A 1ffyA-3kweA:
undetectable		 1ffyA-3kweA:
11.40
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 HIS A 335
GLY A 317
ASN A 319
GLY A 229
ASP A 175
 None
None
None
CA  A 501 ( 4.8A)
None
 1.29A 1ffyA-3lv4A:
undetectable		 1ffyA-3lv4A:
20.89
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.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 368
ASN A  34
GLY A  10
ASP A 293
VAL A 384
 None
 1.17A 1ffyA-3mjfA:
undetectable		 1ffyA-3mjfA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 PRO A 415
GLY A 192
SER A 166
ASP A 129
MET A 452
 GOL  A 520 ( 4.8A)
ZN  A 504 ( 3.9A)
None
ZN  A 502 ( 2.3A)
None
 1.08A 1ffyA-3pfeA:
undetectable		 1ffyA-3pfeA:
20.30
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.
3q10 PANTOATE--BETA-ALANI
NE LIGASE

(Yersinia pestis) 		PF02569
(Pantoate_ligase) 		5 HIS A  34
GLY A  36
GLY A 149
ASP A 152
VAL A 178
 AMP  A 501 (-4.4A)
AMP  A 501 ( 3.9A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.6A)
AMP  A 501 (-4.0A)
 0.92A 1ffyA-3q10A:
2.3		 1ffyA-3q10A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 PRO B   6
ASN B  85
GLY B  31
ASP B  51
VAL B 106
 SAM  B 300 ( 4.5A)
SAM  B 300 (-3.9A)
SAM  B 300 (-3.5A)
SAM  B 300 (-2.9A)
None
 1.29A 1ffyA-3q87B:
undetectable		 1ffyA-3q87B:
11.49
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.
3q8y NUCLEOSIDE
DIPHOSPHATE KINASE

(Staphylococcus
aureus) 		PF00334
(NDK) 		5 PRO A  10
GLY A 106
ASN A 112
SER A  67
GLY A 110
 None
None
ADP  A 158 (-2.2A)
None
ADP  A 158 (-3.5A)
 1.19A 1ffyA-3q8yA:
undetectable		 1ffyA-3q8yA:
10.45
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 PRO A  31
SER A  63
GLY A 144
ASP A 145
PHE A 148
VAL A 149
 None
None
None
FE  A 443 (-3.2A)
None
None
 1.24A 1ffyA-3r2uA:
undetectable		 1ffyA-3r2uA:
18.57
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 GLY A 270
GLY A 285
ASP A 286
PHE A 283
VAL A 282
 None
 1.11A 1ffyA-3r5gA:
undetectable		 1ffyA-3r5gA:
13.52
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		5 HIS A 199
GLY A  35
ASN A  34
GLY A  19
VAL A  37
 CSO  A  18 ( 4.2A)
CSO  A  18 ( 3.8A)
None
CSO  A  18 ( 2.4A)
None
 1.26A 1ffyA-3rjtA:
undetectable		 1ffyA-3rjtA:
15.10
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		6 PRO A  31
SER A  63
GLY A 145
ASP A 146
PHE A 149
VAL A 150
 None
None
None
ZN  A 472 (-3.1A)
None
None
 1.19A 1ffyA-3tp9A:
undetectable		 1ffyA-3tp9A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		5 HIS A  30
GLY A  32
GLY A 144
ASP A 147
VAL A 173
 AMP  A 280 (-4.7A)
AMP  A 280 ( 3.9A)
AMP  A 280 (-3.3A)
MLT  A 284 ( 3.5A)
AMP  A 280 (-3.9A)
 0.93A 1ffyA-3uk2A:
2.5		 1ffyA-3uk2A:
14.27
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A  70
GLY A 207
ASP A 209
GLN A 210
HIS A 235
 AMP  A 402 (-4.4A)
AMP  A 402 (-3.1A)
AMP  A 402 (-2.8A)
TYR  A 401 ( 3.3A)
AMP  A 402 (-4.0A)
 0.56A 1ffyA-3vgjA:
undetectable		 1ffyA-3vgjA:
19.74
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 GLY A 267
ASN A 266
SER A 278
GLY A 264
GLN A 293
 None
 1.24A 1ffyA-3wjsA:
undetectable		 1ffyA-3wjsA:
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		6 GLY A  51
ASN A  55
SER A 496
GLY A 530
VAL A 569
MET A 620
 None
None
LEU  A1001 ( 3.7A)
None
None
None
 0.80A 1ffyA-4arcA:
27.6		 1ffyA-4arcA:
27.02
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 PRO A 223
HIS A 239
GLY A 243
ASN A 264
GLY A 270
 None
None
None
EDO  A1467 (-3.5A)
None
 1.15A 1ffyA-4bqmA:
undetectable		 1ffyA-4bqmA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dve BIOTIN TRANSPORTER
BIOY

(Lactococcus
lactis) 		PF02632
(BioY) 		5 PRO A  35
ASN A 156
GLY A 137
VAL A 130
MET A  46
 None
 1.06A 1ffyA-4dveA:
undetectable		 1ffyA-4dveA:
12.44
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.
4g2t SSFS6

(Streptomyces
sp. SF2575) 		PF00201
(UDPGT)
PF06722
(DUF1205) 		5 PRO A 278
HIS A 292
GLY A 294
GLY A  12
VAL A 317
 TYD  A 401 (-4.2A)
TYD  A 401 (-3.9A)
TYD  A 401 (-3.5A)
TYD  A 401 ( 3.7A)
None
 1.22A 1ffyA-4g2tA:
2.0		 1ffyA-4g2tA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		5 HIS A  18
GLY A  20
GLY A 206
ASP A 208
VAL A 236
 None
 0.79A 1ffyA-4g6zA:
13.2		 1ffyA-4g6zA:
21.01
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 GLY A 266
ASN A 265
SER A 137
GLY A 263
VAL A 270
 None
None
None
ILE  A 401 (-3.6A)
None
 1.23A 1ffyA-4gnrA:
undetectable		 1ffyA-4gnrA:
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.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		6 GLY A 319
SER A 343
GLY A 453
ASP A 455
GLN A 456
PHE A 482
 TYM  A 701 (-3.6A)
TYM  A 701 (-3.6A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
TYM  A 701 (-3.4A)
None
 1.13A 1ffyA-4j75A:
7.4		 1ffyA-4j75A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 HIS A 320
GLY A 319
GLY A 453
ASP A 455
GLN A 456
 TYM  A 701 ( 4.8A)
TYM  A 701 (-3.6A)
TYM  A 701 (-2.9A)
TYM  A 701 (-3.2A)
TYM  A 701 (-3.4A)
 1.13A 1ffyA-4j75A:
7.4		 1ffyA-4j75A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.0A)
None
 1.13A 1ffyA-4jx6A:
undetectable		 1ffyA-4jx6A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 PRO A 290
HIS A 306
GLY A 310
ASN A 331
GLY A 337
 None
 1.14A 1ffyA-4o7dA:
undetectable		 1ffyA-4o7dA:
15.03
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.
4oud TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 HIS B  48
GLY B  50
GLY B 198
ASP B 200
GLN B 201
 HIS  B  48 ( 1.0A)
GLY  B  50 ( 0.0A)
GLY  B 198 ( 0.0A)
ASP  B 200 ( 0.6A)
GLN  B 201 ( 0.6A)
 0.59A 1ffyA-4oudB:
5.1		 1ffyA-4oudB:
17.01
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		5 HIS A 273
GLY A 255
ASN A 257
GLY A 196
ASP A 126
 None
None
None
NA  A 402 ( 4.6A)
EPE  A 401 (-2.7A)
 1.22A 1ffyA-4qqsA:
undetectable		 1ffyA-4qqsA:
15.85
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 184
ASN A 185
SER A  88
GLY A 187
VAL A 191
 None
 1.14A 1ffyA-4uulA:
undetectable		 1ffyA-4uulA:
17.12
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 PRO A 482
GLY A 252
GLY A 478
ASP A 474
HIS A 232
 None
 1.23A 1ffyA-5a2rA:
undetectable		 1ffyA-5a2rA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 PRO A 295
HIS A 311
GLY A 315
ASN A 336
GLY A 342
 None
 1.22A 1ffyA-5d3oA:
undetectable		 1ffyA-5d3oA:
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1

(Pseudomonas
stutzeri) 		PF00115
(COX1)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		5 PRO C  53
GLY A 290
ASN A 289
SER C  32
VAL A 226
 None
 1.19A 1ffyA-5djqC:
3.2		 1ffyA-5djqC:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 GLY A  50
GLY A 179
ASP A 181
GLN A 182
VAL A 217
 ATP  A 402 (-3.6A)
ATP  A 402 (-3.0A)
ATP  A 402 (-2.9A)
5BX  A 401 ( 3.0A)
ATP  A 402 (-3.3A)
 0.83A 1ffyA-5ekdA:
4.1		 1ffyA-5ekdA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 HIS A  48
GLY A  50
GLY A 179
ASP A 181
VAL A 217
 ATP  A 402 (-4.0A)
ATP  A 402 (-3.6A)
ATP  A 402 (-3.0A)
ATP  A 402 (-2.9A)
ATP  A 402 (-3.3A)
 0.78A 1ffyA-5ekdA:
4.1		 1ffyA-5ekdA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 HIS A 437
GLY A 430
ASN A 414
GLY A 378
MET A 456
 None
None
CL  A1616 (-3.5A)
None
None
 1.25A 1ffyA-5fnuA:
undetectable		 1ffyA-5fnuA:
14.61
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		5 PRO A 412
GLY A 383
GLY A 408
ASP A 407
VAL A  30
 None
 1.14A 1ffyA-5gsmA:
undetectable		 1ffyA-5gsmA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 HIS A 412
GLY A 394
ASN A 396
GLY A 305
ASP A 238
 None
None
None
None
AHR  A 720 ( 4.9A)
 1.29A 1ffyA-5ho9A:
undetectable		 1ffyA-5ho9A:
21.62
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 HIS A 412
GLY A 394
ASN A 396
GLY A 305
ASP A 238
 None
None
None
CA  A 902 ( 4.5A)
TRS  A 903 (-2.7A)
 1.30A 1ffyA-5hp6A:
undetectable		 1ffyA-5hp6A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		5 PRO A 117
HIS A  74
GLY A  44
SER A 121
GLY A  48
 None
 1.14A 1ffyA-5jipA:
undetectable		 1ffyA-5jipA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 GLY A  22
GLY A 262
ASP A 264
HIS A 291
PHE A 293
 None
 0.58A 1ffyA-5k0tA:
24.4		 1ffyA-5k0tA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A  23
GLY A  22
GLY A 262
ASP A 264
HIS A 291
 None
 1.21A 1ffyA-5k0tA:
24.4		 1ffyA-5k0tA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 GLY B 302
ASN B 305
ASP B 278
VAL B 283
MET B 104
 None
 1.26A 1ffyA-5lw7B:
undetectable		 1ffyA-5lw7B:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		5 HIS A 283
GLY A 265
ASN A 267
GLY A 203
ASP A 141
 None
None
None
TRS  A 402 ( 4.3A)
TRS  A 402 (-3.0A)
 1.20A 1ffyA-5m8bA:
undetectable		 1ffyA-5m8bA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		5 HIS A 281
GLY A 263
ASN A 265
GLY A 201
ASP A 139
 None
None
None
CA  A 401 ( 4.9A)
GOL  A 403 ( 3.9A)
 1.17A 1ffyA-5m8eA:
undetectable		 1ffyA-5m8eA:
17.13
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 PRO A 420
GLY A 122
SER A 328
GLY A 424
VAL A 170
 None
 1.17A 1ffyA-5tr1A:
undetectable		 1ffyA-5tr1A:
21.03
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.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 PRO A 290
HIS A 306
GLY A 310
ASN A 331
GLY A 337
 None
 1.30A 1ffyA-5uqeA:
undetectable		 1ffyA-5uqeA:
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 GLY A 164
SER A 172
GLY A 177
ASP A 106
VAL A  67
 None
 1.26A 1ffyA-5wx1A:
undetectable		 1ffyA-5wx1A:
21.86
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.
5xya -

(-) 		no annotation 5 HIS A1566
ASN A1563
SER A 356
GLY A 930
GLN A 929
 None
 1.16A 1ffyA-5xyaA:
undetectable		 1ffyA-5xyaA:
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.
5xyi 40S RIBOSOMAL
PROTEIN SA
UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ASN A  95
SER C 259
GLY A  93
PHE A  88
VAL A  85
 None
 1.07A 1ffyA-5xyiA:
undetectable		 1ffyA-5xyiA:
14.37
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 5 GLY A 153
SER A 280
GLY A  98
ASP A 102
VAL A 156
 None
None
NDP  A 502 (-2.6A)
NDP  A 502 (-2.6A)
None
 1.27A 1ffyA-5yvsA:
undetectable		 1ffyA-5yvsA:
6.83
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  20
GLY A 261
ASP A 263
HIS A 290
PHE A 292
 ME8  A 801 (-3.6A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
ME8  A 801 (-4.9A)
 0.61A 1ffyA-6ax8A:
23.3		 1ffyA-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 HIS A  18
GLY A  20
GLY A 261
ASP A 263
HIS A 290
 ME8  A 801 (-3.8A)
ME8  A 801 (-3.6A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
 0.55A 1ffyA-6ax8A:
23.3		 1ffyA-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 HIS A  21
GLY A  20
GLY A 261
ASP A 263
HIS A 290
 ME8  A 801 (-4.3A)
ME8  A 801 (-3.6A)
ME8  A 801 (-2.9A)
ME8  A 801 (-3.1A)
ME8  A 801 (-4.7A)
 1.28A 1ffyA-6ax8A:
23.3		 1ffyA-6ax8A:
6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 PRO A  61
GLY A 116
GLY A  33
VAL A 256
MET A 258
 None
 1.23A 1ffyA-6bj9A:
undetectable		 1ffyA-6bj9A:
6.12
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 290
ASN A 559
SER A 496
GLY A 557
VAL A 582
 None
 1.12A 1ffyA-6f74A:
undetectable		 1ffyA-6f74A:
6.43
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.
6fmq -

(-) 		no annotation 5 HIS A 437
GLY A 430
ASN A 414
GLY A 378
MET A 456
 ACT  A 703 (-4.3A)
None
None
None
None
 1.28A 1ffyA-6fmqA:
undetectable		 1ffyA-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.
1b47 CBL

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		4 PRO A 214
HIS A 213
TRP A 202
GLU A 220
 None
 1.37A 1ffyA-1b47A:
0.0		 1ffyA-1b47A:
16.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 PRO A  47
HIS A  57
TRP A 518
GLU A 550
TRP A 558
 None
 0.56A 1ffyA-1ileA:
32.9		 1ffyA-1ileA:
30.94
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.
1qnr ENDO-1,4-B-D-MANNANA
SE

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 PRO A 170
TRP A  56
GLU A 205
TRP A 114
 None
GOL  A 411 (-4.0A)
MAB  A 401 (-3.9A)
MAB  A 401 (-3.6A)
 1.30A 1ffyA-1qnrA:
0.3		 1ffyA-1qnrA:
16.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		6 PRO A  57
HIS A  67
TRP A 528
GLU A 554
TRP A 562
LYS A 598
 MRC  A1993 ( 4.7A)
MRC  A1993 (-4.1A)
None
MRC  A1993 (-3.2A)
MRC  A1993 (-4.8A)
None
 0.05A 1ffyA-1qu2A:
62.3		 1ffyA-1qu2A:
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		4 PRO A 152
HIS A 371
TRP A 203
GLU A 147
 None
None
None
PLP  A1202 ( 3.8A)
 1.44A 1ffyA-2cb1A:
0.0		 1ffyA-2cb1A:
19.18
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.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 PRO A  62
HIS A  63
GLU A  65
LYS A  52
 None
 1.48A 1ffyA-3dooA:
0.2		 1ffyA-3dooA:
16.48
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.
3lqb LOC792177 PROTEIN

(Danio rerio) 		PF01400
(Astacin) 		4 PRO A 171
HIS A 154
GLU A 167
LYS A   2
 None
 1.47A 1ffyA-3lqbA:
0.0		 1ffyA-3lqbA:
11.68
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 PRO A1375
HIS A1412
TRP A1519
GLU A1376
 None
 1.50A 1ffyA-3ptaA:
0.0		 1ffyA-3ptaA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 PRO A 169
TRP A  54
GLU A 204
TRP A 112
 None
 1.25A 1ffyA-3wh9A:
0.5		 1ffyA-3wh9A:
17.75
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 PRO A 170
TRP A  56
GLU A 205
TRP A 114
 None
GOL  A1351 (-3.9A)
None
TRS  A1352 ( 4.7A)
 1.24A 1ffyA-3zizA:
0.7		 1ffyA-3zizA:
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.
4qp0 ENDO-BETA-MANNANASE

(Rhizomucor
miehei) 		PF00150
(Cellulase) 		4 PRO A 176
TRP A  55
GLU A 220
TRP A 111
 None
 1.29A 1ffyA-4qp0A:
1.3		 1ffyA-4qp0A:
16.81