SIMILAR PATTERNS OF AMINO ACIDS FOR 5HFJ_D_SAMD301_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.
1aow ANNEXIN IV

(Bos taurus) 		PF00191
(Annexin) 		5 ASP A 218
GLY A 181
THR A 187
GLU A 226
SER A 222
 None
 1.15A 5hfjD-1aowA:
undetectable		 5hfjD-1aowA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		5 ALA A 184
PRO A 151
PHE A 247
THR A 200
GLU A 190
 HEM  A 400 (-4.0A)
HEM  A 400 (-4.1A)
HEM  A 400 (-4.4A)
None
None
 0.92A 5hfjD-1bgpA:
undetectable		 5hfjD-1bgpA:
20.13
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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		8 ASP A  34
PRO A  55
PHE A 273
GLY A 275
SER A 276
THR A 278
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 (-2.7A)
SAH  A 401 (-4.0A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.2A)
 0.60A 5hfjD-1booA:
19.2		 5hfjD-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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 ASP A  50
PRO A  70
PHE A   7
GLY A   9
GLU A  29
 None
 0.66A 5hfjD-1dctA:
2.5		 5hfjD-1dctA:
20.48
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ALA A 514
ASP A 428
GLY A 463
SER A 462
THR A 417
 None
 1.20A 5hfjD-1f4hA:
undetectable		 5hfjD-1f4hA:
12.88
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 ASP A  30
PHE A 220
GLY A 222
SER A 223
TYR A 246
 SAM  A 500 (-3.7A)
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.8A)
SAM  A 500 (-4.4A)
 0.70A 5hfjD-1g60A:
23.4		 5hfjD-1g60A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 ASP A  30
PRO A  32
PHE A 220
GLY A 222
SER A 223
 SAM  A 500 (-3.7A)
None
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.8A)
 0.65A 5hfjD-1g60A:
23.4		 5hfjD-1g60A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 PHE A 220
GLY A 222
SER A 223
THR A 225
TYR A 246
 SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.8A)
SAM  A 500 (-3.4A)
SAM  A 500 (-4.4A)
 0.56A 5hfjD-1g60A:
23.4		 5hfjD-1g60A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 PRO A  32
PHE A 220
GLY A 222
SER A 223
THR A 225
 None
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.8A)
SAM  A 500 (-3.4A)
 0.61A 5hfjD-1g60A:
23.4		 5hfjD-1g60A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		5 ALA A  28
PRO A 118
GLY A  94
GLU A  48
GLU A  58
 None
 1.15A 5hfjD-1hujA:
undetectable		 5hfjD-1hujA:
22.77
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.
1j9l STATIONARY PHASE
SURVIVAL PROTEIN

(Thermotoga
maritima) 		PF01975
(SurE) 		5 ASP A 135
ASP A   9
GLY A  93
SER A  92
THR A   6
 None
CA  A1301 (-2.3A)
None
None
None
 1.21A 5hfjD-1j9lA:
undetectable		 5hfjD-1j9lA:
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 ASP A 811
ALA A 833
ASP A 853
GLY A 763
GLU A 827
 None
 1.21A 5hfjD-1k32A:
undetectable		 5hfjD-1k32A:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kc8 RIBOSOMAL PROTEIN
L18E

(Haloarcula
marismortui) 		PF00828
(Ribosomal_L27A) 		5 ASP P  90
ALA P  95
PHE P  81
GLY P  66
SER P  67
 None
None
None
A  A 660 ( 3.7A)
A  A 660 ( 3.2A)
 1.19A 5hfjD-1kc8P:
undetectable		 5hfjD-1kc8P:
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 ASP A 113
ALA A 114
ASP A 133
SER A  68
THR A  70
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 (-3.1A)
SAM  A 301 (-2.4A)
 1.08A 5hfjD-1nt2A:
4.0		 5hfjD-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
PHE A 250
GLY A 252
SER A 253
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.3A)
SAM  A 401 (-4.3A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-2.8A)
 0.68A 5hfjD-1nw5A:
20.1		 5hfjD-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
 1.08A 5hfjD-1o54A:
4.1		 5hfjD-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.
1qez PROTEIN (INORGANIC
PYROPHOSPHATASE)

(Sulfolobus
acidocaldarius) 		PF00719
(Pyrophosphatase) 		5 ASP A1030
PRO A1065
GLY A1053
GLU A1018
GLU A1028
 None
 1.15A 5hfjD-1qezA:
undetectable		 5hfjD-1qezA:
24.30
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.
1qez PROTEIN (INORGANIC
PYROPHOSPHATASE)

(Sulfolobus
acidocaldarius) 		PF00719
(Pyrophosphatase) 		5 ASP A1030
PRO A1065
GLY A1053
GLU A1018
TYR A1052
 None
 1.07A 5hfjD-1qezA:
undetectable		 5hfjD-1qezA:
24.30
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.
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
 0.83A 5hfjD-1qyrA:
3.1		 5hfjD-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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 ALA A 161
PHE A 193
GLY A  46
GLU A  70
SER A  72
 None
AHZ  A 600 (-4.7A)
AHZ  A 600 (-3.1A)
AHZ  A 600 (-2.7A)
None
 1.09A 5hfjD-1rp0A:
undetectable		 5hfjD-1rp0A:
22.07
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ASP A 716
ALA A 697
PHE A 699
THR A 676
TYR A 713
 None
 0.98A 5hfjD-1sqjA:
undetectable		 5hfjD-1sqjA:
13.36
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.
1twl INORGANIC
PYROPHOSPHATASE

(Pyrococcus
furiosus) 		PF00719
(Pyrophosphatase) 		5 ASP A  34
PRO A  69
GLY A  57
GLU A  22
TYR A  56
 None
 0.99A 5hfjD-1twlA:
undetectable		 5hfjD-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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ASP A 373
ALA A 363
ASP A 302
PHE A 303
SER A 308
 None
 0.99A 5hfjD-1u1hA:
undetectable		 5hfjD-1u1hA:
15.05
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 PRO A 133
PHE A  63
GLY A  65
SER A  66
GLU A  84
 None
 1.11A 5hfjD-1ws6A:
3.3		 5hfjD-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.
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)
 1.03A 5hfjD-2b25A:
3.4		 5hfjD-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.
2c41 DPS FAMILY
DNA-BINDING STRESS
RESPONSE PROTEIN

(Thermosynechococcus
elongatus) 		PF00210
(Ferritin) 		5 ALA A 102
PHE A  48
GLY A  52
SER A  53
TYR A  26
 None
 1.21A 5hfjD-2c41A:
undetectable		 5hfjD-2c41A:
20.83
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.
2d1u IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA

(Escherichia
coli) 		PF07660
(STN) 		5 ALA A  13
ASP A  55
GLY A  49
SER A  48
TYR A  44
 None
 1.17A 5hfjD-2d1uA:
undetectable		 5hfjD-2d1uA:
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 ASP A 298
SER A 284
THR A 292
GLU A 315
SER A 313
 None
 1.21A 5hfjD-2e28A:
undetectable		 5hfjD-2e28A:
18.23
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.
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
 0.82A 5hfjD-2esrA:
4.4		 5hfjD-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
 0.99A 5hfjD-2fhpA:
6.5		 5hfjD-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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		6 ALA A 110
ASP A 127
PHE A  60
GLY A  62
SER A  63
GLU A  82
 CL  A 401 (-3.8A)
None
None
None
None
None
 0.83A 5hfjD-2fpoA:
4.3		 5hfjD-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.
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
 0.84A 5hfjD-2fpoA:
4.3		 5hfjD-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)
 0.44A 5hfjD-2i9kA:
2.1		 5hfjD-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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ASP G 297
ALA G 247
PHE G 226
GLY G 251
SER G 299
 None
 1.21A 5hfjD-2iouG:
undetectable		 5hfjD-2iouG:
15.36
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 ASP A 217
ALA A 218
ASP A 237
THR A 173
GLU A 192
 MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
None
MTA  A4001 (-2.7A)
 1.10A 5hfjD-2ipxA:
3.9		 5hfjD-2ipxA:
21.54
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.
2ker ALPHA-AMYLASE
INHIBITOR Z-2685

(Streptomyces
parvulus) 		PF01356
(A_amylase_inhib) 		5 ALA A  41
ASP A  20
PHE A  54
GLY A  56
TYR A  63
 None
 0.95A 5hfjD-2kerA:
undetectable		 5hfjD-2kerA:
17.00
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.
2uxs INORGANIC
PYROPHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00719
(Pyrophosphatase) 		5 ASP A  27
PRO A  62
GLY A  50
GLU A  15
TYR A  49
 None
 1.14A 5hfjD-2uxsA:
undetectable		 5hfjD-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.
2x3c TOXIC EXTRACELLULAR
ENDOPEPTIDASE

(Aeromonas
salmonicida) 		PF14521
(Aspzincin_M35) 		5 ASP A 241
ALA A 242
ASP A 194
GLY A 198
THR A 282
 None
 1.21A 5hfjD-2x3cA:
undetectable		 5hfjD-2x3cA:
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.
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
 1.15A 5hfjD-2yyvA:
undetectable		 5hfjD-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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		7 ASP A  28
ALA A  29
PHE A 243
GLY A 245
THR A 248
GLU A 264
TYR A 269
 None
 0.79A 5hfjD-2zieA:
20.0		 5hfjD-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.
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 5hfjD-2zieA:
20.0		 5hfjD-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.
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)
 0.52A 5hfjD-3av6A:
undetectable		 5hfjD-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.
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
 1.24A 5hfjD-3e05A:
3.9		 5hfjD-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
 0.79A 5hfjD-3e05A:
3.9		 5hfjD-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.
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense) 		PF00701
(DHDPS) 		5 ASP A 208
ALA A 226
ASP A 234
GLY A 230
GLU A 211
 None
None
None
None
NA  A 409 ( 4.9A)
 1.09A 5hfjD-3fkrA:
undetectable		 5hfjD-3fkrA:
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.
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
 0.77A 5hfjD-3g7uA:
2.2		 5hfjD-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.
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
 0.55A 5hfjD-3khkA:
2.5		 5hfjD-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.
3ld3 INORGANIC
PYROPHOSPHATASE

(Anaplasma
phagocytophilum) 		PF00719
(Pyrophosphatase) 		5 ASP A  34
PRO A  69
GLY A  57
GLU A  21
GLU A  32
 None
None
None
None
PO4  A 200 ( 4.6A)
 1.08A 5hfjD-3ld3A:
undetectable		 5hfjD-3ld3A:
24.28
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 289
ALA A 290
PRO A 307
GLY A 202
SER A 203
THR A 205
 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)
GTP  A 383 (-3.5A)
 0.69A 5hfjD-3lduA:
2.3		 5hfjD-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
PRO A 306
GLY A 231
SER A 232
GLU A 255
 None
 0.48A 5hfjD-3lkdA:
3.0		 5hfjD-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 5hfjD-3lo0A:
undetectable		 5hfjD-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.
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
 0.85A 5hfjD-3p9nA:
3.5		 5hfjD-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.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 PRO A 121
GLY A  53
SER A  54
GLU A  73
SER A  74
 None
 0.78A 5hfjD-3p9nA:
3.5		 5hfjD-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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		5 ASP A 129
ALA A 132
ASP A  86
SER A  38
SER A 130
 None
 1.23A 5hfjD-3pieA:
3.6		 5hfjD-3pieA:
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.
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)
 0.47A 5hfjD-3ptaA:
undetectable		 5hfjD-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.
3qxb PUTATIVE XYLOSE
ISOMERASE

(Rhodospirillum
rubrum) 		PF01261
(AP_endonuc_2) 		5 ASP A 139
ALA A 135
ASP A 123
SER A 118
THR A 165
 None
 1.14A 5hfjD-3qxbA:
undetectable		 5hfjD-3qxbA:
19.81
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ALA A 218
ASP A 171
PHE A 170
THR A 178
GLU A 235
 None
 1.22A 5hfjD-3sghA:
undetectable		 5hfjD-3sghA:
18.97
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.
3t05 PYRUVATE KINASE

(Staphylococcus
aureus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 ASP A 296
SER A 282
THR A 290
GLU A 313
SER A 311
 None
 1.16A 5hfjD-3t05A:
undetectable		 5hfjD-3t05A:
17.27
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		7 ASP A 276
ALA A 277
PRO A 295
GLY A 227
SER A 228
THR A 230
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 (-3.3A)
SFG  A 401 (-2.6A)
 0.78A 5hfjD-3tm5A:
3.6		 5hfjD-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) 		7 ASP A 243
ALA A 244
PRO A 262
PHE A 192
GLY A 194
SER A 195
THR A 197
 None
 0.83A 5hfjD-3tmaA:
3.1		 5hfjD-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
 1.07A 5hfjD-3tr4A:
undetectable		 5hfjD-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.
3uat DISKS LARGE HOMOLOG
1

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 ALA A 587
ASP A 596
PRO A 641
SER A 709
GLU A 647
 None
 1.12A 5hfjD-3uatA:
undetectable		 5hfjD-3uatA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 ASP A  94
ALA A  95
PRO A 119
GLY A  48
GLU A  71
 None
 0.93A 5hfjD-3uzuA:
3.9		 5hfjD-3uzuA:
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		6 ASP A 290
PRO A 311
GLY A 199
SER A 200
THR A 202
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 (-4.1A)
SAM  A 801 (-3.5A)
 0.62A 5hfjD-3v8vA:
3.6		 5hfjD-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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 ALA A 531
ASP A 552
PHE A 533
GLY A 482
GLU A 537
 None
 1.20A 5hfjD-3vsvA:
undetectable		 5hfjD-3vsvA:
16.59
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.
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)
 0.78A 5hfjD-3vywA:
2.1		 5hfjD-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.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A 211
ALA A 213
SER A 241
THR A 246
TYR A 250
 None
 1.20A 5hfjD-4b4dA:
3.2		 5hfjD-4b4dA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 ASP A 134
ALA A 135
SER A  88
THR A  90
GLU A 109
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.9A)
SAM  A 301 (-2.9A)
 0.63A 5hfjD-4df3A:
4.0		 5hfjD-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)
 0.55A 5hfjD-4dkjA:
undetectable		 5hfjD-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.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ASP A 316
ALA A 317
PRO A 274
GLY A 137
THR A 132
 None
 1.23A 5hfjD-4dnxA:
undetectable		 5hfjD-4dnxA:
19.61
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.
4e79 UDP-3-O-ACYLGLUCOSAM
INE
N-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 ASP A 156
GLY A 136
SER A 118
THR A 120
GLU A 152
 None
 1.17A 5hfjD-4e79A:
undetectable		 5hfjD-4e79A:
22.34
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.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		5 ASP A  20
PRO A  55
GLY A  43
GLU A   8
TYR A  42
 None
 1.19A 5hfjD-4ecpA:
undetectable		 5hfjD-4ecpA:
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.
4lu1 MAF-LIKE PROTEIN
YCEF

(Escherichia
coli) 		PF02545
(Maf) 		5 ALA A  57
PHE A 109
GLY A  67
SER A  68
GLU A  51
 None
 1.16A 5hfjD-4lu1A:
undetectable		 5hfjD-4lu1A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0b GLYCODELIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ASP A 109
ALA A  89
PRO A  38
SER A 116
GLU A  28
 None
 1.23A 5hfjD-4r0bA:
undetectable		 5hfjD-4r0bA:
19.41
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		6 ASP A 686
PRO A 709
PHE A 640
GLY A 642
THR A 645
GLU A 664
 SAH  A1004 (-3.0A)
SAH  A1004 ( 3.9A)
SAH  A1004 (-4.6A)
SAH  A1004 (-3.3A)
SAH  A1004 (-3.3A)
SAH  A1004 (-3.0A)
 0.65A 5hfjD-4u7tA:
undetectable		 5hfjD-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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ASP A 353
ALA A 352
ASP A 456
GLY A 309
GLU A 314
 None
 1.21A 5hfjD-4uzsA:
undetectable		 5hfjD-4uzsA:
15.81
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.
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)
 0.51A 5hfjD-4wxxA:
undetectable		 5hfjD-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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		6 ASP A 981
PRO A1020
PHE A 904
GLY A 906
THR A 909
GLU A 944
 None
 0.67A 5hfjD-4xqkA:
undetectable		 5hfjD-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.
4xuo ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF02018
(CBM_4_9) 		5 ASP A 141
ALA A 144
SER A  59
THR A  25
TYR A 136
 None
 1.23A 5hfjD-4xuoA:
undetectable		 5hfjD-4xuoA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.11A 5hfjD-4ylaA:
undetectable		 5hfjD-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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 ASP A 101
PHE A 441
GLY A 443
SER A 444
THR A 446
 None
 0.72A 5hfjD-4zcfA:
18.2		 5hfjD-4zcfA:
17.36
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 PRO A 125
PHE A 441
GLY A 443
SER A 444
THR A 446
 None
 0.67A 5hfjD-4zcfA:
18.2		 5hfjD-4zcfA:
17.36
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 220
ASP A 244
GLY A 155
SER A 156
GLU A 262
 None
MG  A 502 ( 2.9A)
None
None
None
 0.94A 5hfjD-5boeA:
undetectable		 5hfjD-5boeA:
19.41
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A
TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens;
Homo sapiens) 		PF08704
(GCD14)
PF04189
(Gcd10p) 		5 PHE B 457
GLY A  55
SER A  56
SER A  19
TYR A  67
 None
 1.22A 5hfjD-5ccxB:
2.8		 5hfjD-5ccxB:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 5hfjD-5e72A:
3.5		 5hfjD-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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		6 ASP A 981
PRO A1020
PHE A 904
GLY A 906
THR A 909
GLU A 944
 None
 0.84A 5hfjD-5ffjA:
2.8		 5hfjD-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.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 257
ASP A 314
PRO A 312
SER A 698
TYR A 697
 None
 1.03A 5hfjD-5fokA:
undetectable		 5hfjD-5fokA:
14.58
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.
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)
 0.54A 5hfjD-5gutA:
2.3		 5hfjD-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) 		6 ASP A   8
ALA A   7
PRO A 194
GLY A 197
SER A 198
GLU A 216
 SAM  A 301 (-3.4A)
None
None
SAM  A 301 (-3.4A)
SAM  A 301 (-2.5A)
SAM  A 301 (-3.1A)
 1.40A 5hfjD-5hfjA:
32.1		 5hfjD-5hfjA:
100.00
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) 		11 ASP A   8
ALA A   9
ASP A  29
PRO A  31
PHE A 195
GLY A 197
SER A 198
THR A 200
GLU A 216
GLU A 218
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 (-3.6A)
SAM  A 301 (-3.1A)
None
SAM  A 301 (-4.2A)
 0.45A 5hfjD-5hfjA:
32.1		 5hfjD-5hfjA:
100.00
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
THR A 200
GLU A 216
SER A 217
 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 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.8A)
 0.66A 5hfjD-5hfjA:
32.1		 5hfjD-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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 ALA C 461
PRO C 483
GLY C 365
GLU C 413
GLU C 415
 SFG  C1002 (-3.8A)
SFG  C1002 (-4.1A)
SFG  C1002 (-3.4A)
SFG  C1002 (-2.8A)
None
 0.62A 5hfjD-5hr4C:
2.6		 5hfjD-5hr4C:
13.27
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 126
PRO A  89
SER A  40
THR A  44
GLU A  35
 None
 1.17A 5hfjD-5i2gA:
undetectable		 5hfjD-5i2gA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ls0 SOLUBLE INORGANIC
PYROPHOSPHATASE 1

(Arabidopsis
thaliana) 		PF00719
(Pyrophosphatase) 		5 ASP A  66
PRO A 101
GLY A  89
GLU A  54
GLU A  64
 None
None
None
MG  A 301 ( 4.2A)
None
 1.20A 5hfjD-5ls0A:
undetectable		 5hfjD-5ls0A:
19.25
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus) 		no annotation 5 ALA A  72
PRO A  46
PHE A 156
GLY A  51
THR A  25
 None
 1.23A 5hfjD-5w0xA:
undetectable		 5hfjD-5w0xA:
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.
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)
 0.65A 5hfjD-5wt3A:
2.6		 5hfjD-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.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 5 ASP A 243
ALA A 244
GLY A 480
THR A 485
SER A 242
 None
None
FAD  A 604 (-4.0A)
FAD  A 604 (-3.5A)
None
 1.21A 5hfjD-5z2gA:
undetectable		 5hfjD-5z2gA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 6 ASP A 686
PRO A 709
PHE A 640
GLY A 642
THR A 645
GLU A 664
 SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-2.7A)
 0.56A 5hfjD-6brrA:
2.6		 5hfjD-6brrA:
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ASP 1  50
GLY 1 201
SER 1 202
SER 1  51
GLU 1 198
 None
 1.08A 5hfjD-6epd1:
undetectable		 5hfjD-6epd1:
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.
6g3u -

(-) 		no annotation 5 ASP A  13
ASP A 548
GLY A 583
SER A 562
SER A 585
 None
AKG  A 802 (-3.7A)
NAP  A 801 (-4.1A)
None
NAP  A 801 (-3.4A)
 1.12A 5hfjD-6g3uA:
undetectable		 5hfjD-6g3uA:
undetectable