SIMILAR PATTERNS OF AMINO ACIDS FOR 5HFJ_F_SAMF301_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		6 ASP A  34
PHE A 273
GLY A 275
SER A 276
GLU A 294
TYR A 299
 SAH  A 401 (-4.0A)
SAH  A 401 (-4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.2A)
 0.80A 5hfjF-1booA:
19.8		 5hfjF-1booA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		6 ASP A  34
PRO A  55
PHE A 273
GLY A 275
GLU A 294
TYR A 299
 SAH  A 401 (-4.0A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.2A)
 0.62A 5hfjF-1booA:
19.8		 5hfjF-1booA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 ASP A 161
ASP A 178
GLY A 109
SER A 110
GLU A 131
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-2.6A)
 1.04A 5hfjF-1i9gA:
4.1		 5hfjF-1i9gA:
20.76
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ASP A 148
THR A  73
GLY A 101
SER A 102
GLU A 121
 ADN  A 500 (-3.7A)
NA  A 402 ( 3.9A)
ADN  A 500 (-3.4A)
None
ADN  A 500 (-2.9A)
 1.18A 5hfjF-1jg3A:
undetectable		 5hfjF-1jg3A:
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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		5 ALA A 486
ASP A 394
PHE A 421
SER A 323
GLU A 322
 None
CA  A1601 (-3.3A)
None
None
None
 1.09A 5hfjF-1k1xA:
undetectable		 5hfjF-1k1xA:
16.98
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA A 620
PRO A 584
GLN A 192
GLY A 168
SER A 167
 None
MGD  A1018 (-4.1A)
MGD  A1018 (-3.7A)
MGD  A1018 ( 4.8A)
None
 1.31A 5hfjF-1kqfA:
2.5		 5hfjF-1kqfA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		5 ASP A 113
ALA A 114
ASP A 133
SER A  68
GLU A  88
 SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.4A)
 0.74A 5hfjF-1nt2A:
3.7		 5hfjF-1nt2A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		6 ASP A  46
ASP A  65
PRO A  67
THR A 225
PHE A 250
GLY A 252
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.3A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.6A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
 0.69A 5hfjF-1nw5A:
20.8		 5hfjF-1nw5A:
24.17
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		6 ASP A  46
ASP A  65
THR A 225
GLN A 226
PHE A 250
GLY A 252
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.3A)
SAM  A 401 (-3.6A)
None
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
 0.68A 5hfjF-1nw5A:
20.8		 5hfjF-1nw5A:
24.17
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		6 ASP A  46
PRO A  67
THR A 225
PHE A 250
GLY A 252
SER A 253
 SAM  A 401 (-3.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.6A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-2.8A)
 0.88A 5hfjF-1nw5A:
20.8		 5hfjF-1nw5A:
24.17
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		6 ASP A  46
THR A 225
GLN A 226
PHE A 250
GLY A 252
SER A 253
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.6A)
None
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-2.8A)
 1.00A 5hfjF-1nw5A:
20.8		 5hfjF-1nw5A:
24.17
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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 ASP A 160
ASP A 176
GLY A 110
SER A 111
GLU A 132
 None
None
None
CL  A 266 ( 4.4A)
None
 1.10A 5hfjF-1o54A:
4.2		 5hfjF-1o54A:
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 ASP A  91
ALA A  92
PRO A 115
GLY A  47
GLU A  66
 None
 0.92A 5hfjF-1qyrA:
3.3		 5hfjF-1qyrA:
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.
1twl INORGANIC
PYROPHOSPHATASE

(Pyrococcus
furiosus) 		PF00719
(Pyrophosphatase) 		5 ASP A  34
PRO A  69
GLY A  57
GLU A  22
TYR A  56
 None
 1.04A 5hfjF-1twlA:
undetectable		 5hfjF-1twlA:
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 PRO A 133
PHE A  63
GLY A  65
SER A  66
GLU A  84
 None
 1.08A 5hfjF-1ws6A:
3.5		 5hfjF-1ws6A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 ALA A 266
ASP A 286
PRO A 288
PHE A 217
SER A 239
 None
 0.82A 5hfjF-1wxxA:
4.8		 5hfjF-1wxxA:
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 ASP A 173
ASP A 192
GLY A 113
SER A 114
GLU A 135
 SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
SAM  A 601 (-3.2A)
SAM  A 601 (-4.8A)
SAM  A 601 (-2.9A)
 0.99A 5hfjF-2b25A:
3.6		 5hfjF-2b25A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A  48
THR A  68
GLY A 200
SER A 187
SER A 255
 None
None
None
PMP  A1416 (-2.5A)
None
 1.26A 5hfjF-2c81A:
undetectable		 5hfjF-2c81A:
19.76
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 ASP A 177
ASP A 194
PRO A 196
PHE A  43
GLY A  45
 SAM  A 300 (-4.1A)
SAM  A 300 (-3.7A)
SAM  A 300 ( 4.1A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
 1.12A 5hfjF-2dpmA:
3.8		 5hfjF-2dpmA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2esr METHYLTRANSFERASE

(Streptococcus
pyogenes) 		PF03602
(Cons_hypoth95) 		7 ALA A 100
ASP A 117
PRO A 119
PHE A  49
GLY A  51
SER A  52
GLU A  71
 None
 0.79A 5hfjF-2esrA:
4.4		 5hfjF-2esrA:
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.
2fhp METHYLASE, PUTATIVE

(Enterococcus
faecalis) 		PF03602
(Cons_hypoth95) 		6 ASP A  99
ALA A 100
ASP A 120
PRO A 122
GLY A  51
SER A  52
 None
 0.97A 5hfjF-2fhpA:
6.5		 5hfjF-2fhpA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fl1 RED FLUORESCENT
PROTEIN ZOANRFP

(Zoanthus sp.) 		PF01353
(GFP) 		5 ALA A  63
ASP A 182
PHE A 181
GLY A 163
GLU A 150
 XYG  A  66 ( 4.0A)
None
None
None
XYG  A  66 ( 4.6A)
 1.29A 5hfjF-2fl1A:
undetectable		 5hfjF-2fl1A:
18.18
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		6 ALA A 110
ASP A 127
PRO A 129
PHE A  60
GLY A  62
GLU A  82
 CL  A 401 (-3.8A)
None
None
None
None
None
 0.87A 5hfjF-2fpoA:
3.0		 5hfjF-2fpoA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 ASP A  60
PRO A  80
PHE A  18
GLY A  20
GLU A  40
 SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-2.8A)
 0.57A 5hfjF-2i9kA:
2.1		 5hfjF-2i9kA:
21.13
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.
2iuu DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 ASP A 599
ALA A 598
ASP A 659
GLN A 653
GLY A 466
 None
 1.23A 5hfjF-2iuuA:
undetectable		 5hfjF-2iuuA:
18.37
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		5 ALA A  51
THR A  60
GLN A  46
PHE A  57
GLY A  47
 None
 1.13A 5hfjF-2iwaA:
undetectable		 5hfjF-2iwaA:
20.34
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.
2pxs GFP-LIKE FLUORESCENT
CHROMOPROTEIN FP506

(Zoanthus sp.) 		PF01353
(GFP) 		5 ALA A  63
ASP A 182
PHE A 181
GLY A 163
GLU A 150
 DYG  A  66 ( 3.8A)
None
None
None
DYG  A  66 ( 4.6A)
 1.29A 5hfjF-2pxsA:
undetectable		 5hfjF-2pxsA:
19.60
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.
2uxs INORGANIC
PYROPHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00719
(Pyrophosphatase) 		5 ASP A  27
PRO A  62
GLY A  50
GLU A  15
TYR A  49
 None
 1.15A 5hfjF-2uxsA:
undetectable		 5hfjF-2uxsA:
21.60
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.
2v9y PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 478
ALA A 482
PRO A 487
GLN A 527
GLY A 591
 None
 1.03A 5hfjF-2v9yA:
undetectable		 5hfjF-2v9yA:
19.57
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.
2xqx ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		5 ASP A 930
ALA A 937
GLY A 847
SER A 848
SER A 929
 None
 1.12A 5hfjF-2xqxA:
undetectable		 5hfjF-2xqxA:
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ASP A 233
ALA A 230
GLN A 274
GLY A 197
SER A 254
 None
 0.81A 5hfjF-2xt6A:
undetectable		 5hfjF-2xt6A:
12.83
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		5 ASP A 148
ASP A 165
GLY A 101
SER A 102
GLU A 120
 SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-2.7A)
 1.05A 5hfjF-2yvlA:
4.1		 5hfjF-2yvlA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyv PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Thermotoga
maritima) 		PF04029
(2-ph_phosp) 		5 ALA A 111
PRO A  42
PHE A 221
GLY A  39
SER A  38
 None
 1.02A 5hfjF-2yyvA:
undetectable		 5hfjF-2yyvA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 ALA A  51
PRO A  70
PHE A  73
SER A  78
SER A  95
 None
 1.31A 5hfjF-2z0jA:
undetectable		 5hfjF-2z0jA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		7 ASP A  28
ALA A  29
PRO A  49
PHE A 243
GLY A 245
GLU A 264
TYR A 269
 None
 0.63A 5hfjF-2zieA:
20.1		 5hfjF-2zieA:
26.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 ASP A 196
ALA A 198
GLN A 266
GLY A 227
SER A 245
 None
 0.83A 5hfjF-3a21A:
undetectable		 5hfjF-3a21A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 ASP A 196
ALA A 198
THR A 552
GLY A 227
SER A 245
 None
 1.12A 5hfjF-3a21A:
undetectable		 5hfjF-3a21A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 ASP A 196
ALA A 198
THR A 552
GLY A 227
TYR A 228
 None
 1.29A 5hfjF-3a21A:
undetectable		 5hfjF-3a21A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ASP A1193
PRO A1228
PHE A1148
GLY A1150
GLU A1171
 SAM  A   1 (-3.6A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-2.6A)
 0.56A 5hfjF-3av6A:
5.5		 5hfjF-3av6A:
10.02
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 ASP B 261
ASP B 398
THR B 431
GLY B 434
TYR B 417
 None
 1.18A 5hfjF-3bvhB:
undetectable		 5hfjF-3bvhB:
18.15
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 ALA A 305
GLY A 258
SER A 259
GLU A 279
TYR A 284
 None
CL  A   1 ( 4.7A)
CL  A   1 (-4.5A)
None
None
 1.11A 5hfjF-3e05A:
4.1		 5hfjF-3e05A:
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 ALA A 307
GLY A 258
SER A 259
GLU A 279
TYR A 284
 None
CL  A   1 ( 4.7A)
CL  A   1 (-4.5A)
None
None
 0.82A 5hfjF-3e05A:
4.1		 5hfjF-3e05A:
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.
3eiz INORGANIC
PYROPHOSPHATASE

(Burkholderia
pseudomallei) 		PF00719
(Pyrophosphatase) 		5 ASP A  34
PRO A  69
GLY A  57
GLU A  21
TYR A  56
 None
 1.13A 5hfjF-3eizA:
undetectable		 5hfjF-3eizA:
23.98
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.
3fhl PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A  49
THR A  71
GLY A  15
SER A  14
SER A  42
 None
 1.25A 5hfjF-3fhlA:
2.7		 5hfjF-3fhlA:
21.61
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 ASP A  51
PRO A  78
PHE A   7
GLY A   9
GLU A  29
 None
 0.86A 5hfjF-3g7uA:
2.5		 5hfjF-3g7uA:
21.78
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ALA A 213
ASP A 303
GLY A 285
SER A 299
TYR A 286
 None
 1.28A 5hfjF-3ingA:
undetectable		 5hfjF-3ingA:
20.43
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.
3jr3 NAD-DEPENDENT
DEACETYLASE

(Thermotoga
maritima) 		PF02146
(SIR2) 		5 ALA A 236
THR A  97
GLN A  98
GLY A 188
SER A 189
 None
 1.14A 5hfjF-3jr3A:
3.3		 5hfjF-3jr3A:
20.61
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ASP A 317
ALA A 316
GLY A 253
SER A 254
GLU A 289
 None
 1.29A 5hfjF-3khkA:
2.9		 5hfjF-3khkA:
20.19
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ASP A 317
PRO A 250
GLY A 253
SER A 254
GLU A 289
 None
 1.24A 5hfjF-3khkA:
2.9		 5hfjF-3khkA:
20.19
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ASP A 317
PRO A 337
GLY A 253
SER A 254
GLU A 289
SER A 290
 None
 0.75A 5hfjF-3khkA:
2.9		 5hfjF-3khkA:
20.19
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.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 ASP A 131
THR A  57
GLY A  85
SER A  86
GLU A 104
 SAH  A 300 (-3.7A)
None
SAH  A 300 (-3.4A)
SAH  A 300 (-2.5A)
SAH  A 300 (-2.9A)
 1.09A 5hfjF-3lbfA:
3.1		 5hfjF-3lbfA:
18.80
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 289
ALA A 290
PRO A 307
GLY A 202
SER A 203
 GTP  A 383 ( 3.8A)
GTP  A 383 (-3.7A)
GTP  A 383 (-3.7A)
GTP  A 383 (-2.6A)
GTP  A 383 (-2.7A)
 0.74A 5hfjF-3lduA:
2.1		 5hfjF-3lduA:
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ASP A 284
ALA A 283
GLY A 231
SER A 232
GLU A 255
 None
 1.26A 5hfjF-3lkdA:
undetectable		 5hfjF-3lkdA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		5 ASP A  34
PRO A  69
GLY A  57
GLU A  21
TYR A  56
 None
None
None
None
SO4  A 173 (-4.4A)
 1.14A 5hfjF-3lo0A:
undetectable		 5hfjF-3lo0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ALA B 446
THR B 866
GLN B 647
GLY B 402
SER B 406
 None
 1.25A 5hfjF-3o8oB:
undetectable		 5hfjF-3o8oB:
13.68
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.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 ASP A 119
PRO A 121
GLY A  53
GLU A  73
SER A  74
 None
 0.78A 5hfjF-3p9nA:
3.4		 5hfjF-3p9nA:
18.91
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ASP A1190
PRO A1225
PHE A1145
GLY A1147
GLU A1168
 SAH  A1601 ( 4.7A)
SAH  A1601 (-4.2A)
SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 (-3.0A)
 0.65A 5hfjF-3ptaA:
2.2		 5hfjF-3ptaA:
12.18
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.
3qpc CUTINASE

(Fusarium solani) 		PF01083
(Cutinase) 		5 ALA A 195
GLN A 121
PHE A 147
GLY A  41
SER A  42
 None
None
None
MIR  A 120 ( 3.3A)
MIR  A 120 ( 2.6A)
 1.30A 5hfjF-3qpcA:
2.3		 5hfjF-3qpcA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASP A 221
ALA A 220
ASP A 215
GLY A 344
SER A 341
 SO4  A 392 (-3.4A)
SO4  A 392 (-3.7A)
None
None
None
 1.29A 5hfjF-3ss6A:
undetectable		 5hfjF-3ss6A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 276
ALA A 277
PRO A 295
GLY A 227
SER A 228
GLU A 248
 SFG  A 401 (-3.4A)
SFG  A 401 (-3.1A)
SFG  A 401 ( 4.4A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-3.6A)
SFG  A 401 (-2.6A)
 0.67A 5hfjF-3tm5A:
3.4		 5hfjF-3tm5A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 276
PRO A 224
GLY A 227
SER A 228
GLU A 248
 SFG  A 401 (-3.4A)
None
SFG  A 401 ( 3.7A)
SFG  A 401 (-3.6A)
SFG  A 401 (-2.6A)
 1.27A 5hfjF-3tm5A:
3.4		 5hfjF-3tm5A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 243
ALA A 244
PRO A 262
PHE A 192
GLY A 194
SER A 195
 None
 0.83A 5hfjF-3tmaA:
3.1		 5hfjF-3tmaA:
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 ASP A  32
PRO A  67
GLY A  55
GLU A  19
TYR A  54
 None
 1.13A 5hfjF-3tr4A:
undetectable		 5hfjF-3tr4A:
21.94
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A 375
ALA A 374
ASP A 344
GLN A 404
PHE A 350
 None
None
CA  A 602 (-3.9A)
None
None
 1.25A 5hfjF-3v4pA:
undetectable		 5hfjF-3v4pA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ASP A 290
PRO A 311
GLY A 199
SER A 200
SER A 263
 SAM  A 801 (-3.0A)
SAM  A 801 ( 4.1A)
SAM  A 801 (-3.2A)
SAM  A 801 (-3.0A)
SAM  A 801 (-3.5A)
 0.80A 5hfjF-3v8vA:
4.0		 5hfjF-3v8vA:
14.74
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ASP B 101
ALA B 130
PHE B 207
GLY B 209
SER B 210
 None
 1.11A 5hfjF-3vlbB:
undetectable		 5hfjF-3vlbB:
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 ASP A 174
ALA A 175
ASP A 193
GLY A 106
GLU A 133
 SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
 0.73A 5hfjF-3vywA:
5.4		 5hfjF-3vywA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		5 ASP A 143
ASP A 164
PRO A 166
GLY A  44
GLU A 118
 None
TRS  A1281 ( 3.0A)
None
EDO  A1284 ( 4.7A)
None
 1.16A 5hfjF-4bluA:
3.3		 5hfjF-4bluA:
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 ASP A 134
ALA A 135
ASP A 154
SER A  88
GLU A 109
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
None
SAM  A 301 (-2.9A)
 0.98A 5hfjF-4df3A:
4.1		 5hfjF-4df3A:
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		5 ASP A 113
PRO A 134
PHE A  17
GLY A  19
GLU A  45
 SAH  A 501 (-3.7A)
SAH  A 501 ( 4.4A)
SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.0A)
 0.68A 5hfjF-4dkjA:
4.7		 5hfjF-4dkjA:
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.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ALA A 104
THR A 289
PHE A 159
GLY A 107
TYR A 110
 NAD  A 403 ( 3.8A)
None
NAD  A 403 (-3.9A)
None
None
 1.16A 5hfjF-4id9A:
undetectable		 5hfjF-4id9A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASP A 398
ALA A 397
PRO A 107
GLY A 572
SER A 550
 None
 1.23A 5hfjF-4iigA:
undetectable		 5hfjF-4iigA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4it4 CG17282

(Drosophila
melanogaster) 		no annotation 5 ALA A 198
PRO A 150
PHE A 146
GLY A 142
SER A 141
 None
 1.26A 5hfjF-4it4A:
undetectable		 5hfjF-4it4A:
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 ASP A 186
THR A  35
GLY A   4
SER A   3
SER A 184
 None
 1.22A 5hfjF-4nq1A:
undetectable		 5hfjF-4nq1A:
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 ASP A 132
THR A  54
GLY A  82
SER A  83
GLU A 104
 SAH  A 500 (-4.0A)
None
SAH  A 500 (-3.3A)
SAH  A 500 (-2.9A)
SAH  A 500 (-2.8A)
 1.24A 5hfjF-4o29A:
2.8		 5hfjF-4o29A:
18.70
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.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ASP A  76
ALA A  71
THR A 427
SER A 346
TYR A 102
 None
 1.31A 5hfjF-4tweA:
undetectable		 5hfjF-4tweA:
15.45
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 ASP A 686
PRO A 709
PHE A 640
GLY A 642
GLU A 664
 SAH  A1004 (-3.0A)
SAH  A1004 ( 3.9A)
SAH  A1004 (-4.6A)
SAH  A1004 (-3.3A)
SAH  A1004 (-3.0A)
 0.47A 5hfjF-4u7tA:
2.2		 5hfjF-4u7tA:
18.18
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ASP A 562
ALA A 561
ASP A 586
PHE A 577
GLY A 584
 None
 1.29A 5hfjF-4uozA:
undetectable		 5hfjF-4uozA:
16.43
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ASP A1190
PRO A1225
PHE A1145
GLY A1147
GLU A1168
 SAH  A1706 (-3.3A)
SAH  A1706 ( 4.7A)
SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
SAH  A1706 (-2.8A)
 0.53A 5hfjF-4wxxA:
3.9		 5hfjF-4wxxA:
9.83
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		5 ALA A  75
ASP A 122
GLN A  21
SER A  61
GLU A  63
 None
FE2  A 202 ( 2.6A)
None
None
None
 1.25A 5hfjF-4xpxA:
undetectable		 5hfjF-4xpxA:
19.48
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ASP A 981
PRO A1020
PHE A 904
GLY A 906
GLU A 944
 None
 0.67A 5hfjF-4xqkA:
2.4		 5hfjF-4xqkA:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		5 ALA A 241
PRO A   5
PHE A   6
GLY A 220
SER A 221
 None
None
None
ILV  A 401 (-3.8A)
ILV  A 401 (-4.7A)
 1.18A 5hfjF-4ylaA:
undetectable		 5hfjF-4ylaA:
17.02
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.
5a2t COAT PROTEIN

(Bamboo mosaic
virus) 		PF00286
(Flexi_CP) 		5 ASP A 194
ALA A 189
THR A 134
PHE A 142
GLY A 174
 None
 1.28A 5hfjF-5a2tA:
undetectable		 5hfjF-5a2tA:
22.57
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.
5ajh CUTINASE

(Fusarium
oxysporum) 		PF01083
(Cutinase) 		5 ALA A 196
GLN A 122
PHE A 148
GLY A  42
SER A  43
 None
None
None
MPD  A1221 (-3.6A)
MPD  A1221 (-4.7A)
 1.27A 5hfjF-5ajhA:
2.4		 5hfjF-5ajhA:
19.76
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		5 ASP A  96
ALA A  95
ASP A  51
GLY A  55
GLU A  74
 SAH  A 301 (-3.7A)
EDO  A 304 (-4.5A)
SAH  A 301 ( 4.7A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-2.9A)
 1.23A 5hfjF-5bszA:
2.3		 5hfjF-5bszA:
19.23
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 ASP A 163
ASP A 181
GLY A 113
SER A 114
GLU A 135
 SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.4A)
SAH  A 301 (-2.2A)
 1.23A 5hfjF-5ccxA:
4.6		 5hfjF-5ccxA:
20.81
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.
5cm2 TRNA
METHYLTRANSFERASE
ACTIVATOR SUBUNIT
TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica;
Yarrowia
lipolytica) 		PF03966
(Trm112p)
PF08241
(Methyltransf_11) 		5 ALA M  55
PRO Z 112
PHE M  23
GLY M  20
SER M  19
 None
 1.29A 5hfjF-5cm2M:
undetectable		 5hfjF-5cm2M:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ALA A 107
THR A  72
GLN A  74
GLY A  77
GLU A  80
 None
 1.30A 5hfjF-5dteA:
3.7		 5hfjF-5dteA:
21.12
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 235
ALA A 236
ASP A 254
PRO A 256
PHE A 187
GLY A 189
 SAM  A 400 (-3.4A)
SAM  A 400 (-3.5A)
None
SAM  A 400 (-4.2A)
SAM  A 400 (-4.7A)
SAM  A 400 (-3.3A)
 0.65A 5hfjF-5e72A:
2.7		 5hfjF-5e72A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASP A 487
ALA A 488
THR A 187
GLY A 501
SER A  37
 FAD  A 601 (-4.6A)
FAD  A 601 (-3.2A)
None
None
FAD  A 601 (-4.4A)
 1.27A 5hfjF-5eb5A:
undetectable		 5hfjF-5eb5A:
17.17
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 ASP A 981
PRO A1020
PHE A 904
GLY A 906
GLU A 944
 None
 0.63A 5hfjF-5ffjA:
3.0		 5hfjF-5ffjA:
10.05
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 ASP A1193
PRO A1228
PHE A1148
GLY A1150
GLU A1171
 SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-2.7A)
 0.57A 5hfjF-5gutA:
6.5		 5hfjF-5gutA:
12.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		10 ASP A   8
ALA A   9
ASP A  29
PRO A  31
PHE A 195
GLY A 197
SER A 198
GLU A 216
SER A 217
TYR A 221
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
SAM  A 301 (-3.2A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.5A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
 0.57A 5hfjF-5hfjA:
33.6		 5hfjF-5hfjA:
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.
5k8f ACETYL-COENZYME A
SYNTHETASE

(Cryptococcus
neoformans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 ASP A 324
ALA A 320
PRO A 452
GLY A 409
SER A 410
 None
EDO  A 705 (-4.3A)
None
None
None
 1.16A 5hfjF-5k8fA:
2.3		 5hfjF-5k8fA:
15.21
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.
5oie -

(-) 		no annotation 5 PRO A 379
GLN A 434
GLY A 430
SER A 431
SER A 214
 None
GOL  A 501 (-3.6A)
None
None
None
 1.13A 5hfjF-5oieA:
undetectable		 5hfjF-5oieA:
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.
5v5f AT3G11770

(Arabidopsis
thaliana) 		PF01612
(DNA_pol_A_exo1) 		5 ASP A  52
THR A 150
GLN A 110
GLY A 108
SER A  48
 None
 1.31A 5hfjF-5v5fA:
undetectable		 5hfjF-5v5fA:
21.51
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 5 ASP A 243
PRO A 262
PHE A 191
GLY A 193
GLU A 213
 MTA  A 401 (-3.3A)
G  C  37 ( 4.1A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
 0.73A 5hfjF-5wt3A:
2.3		 5hfjF-5wt3A:
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.
5x1e ICMW

(Legionella
pneumophila) 		no annotation 5 ASP B   3
THR B  26
GLY B  80
SER B  79
SER B   5
 None
 1.17A 5hfjF-5x1eB:
undetectable		 5hfjF-5x1eB:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ALA A 119
ASP A 194
PHE A 121
GLY A 123
SER A 124
 None
 1.24A 5hfjF-5xh9A:
undetectable		 5hfjF-5xh9A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 5 ASP C 318
ASP C 458
GLN C 269
GLY C 480
GLU C 311
 None
 1.17A 5hfjF-5yh3C:
undetectable		 5hfjF-5yh3C:
undetectable