SIMILAR PATTERNS OF AMINO ACIDS FOR 3V8V_B_SAMB801

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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 GLY A   9
ASP A  31
ASP A  50
PRO A  70
LEU A  90
 None
 0.99A 3v8vB-1dctA:
8.3		 3v8vB-1dctA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  65
ASP A  84
ASP A 113
ASN A 129
PRO A 131
 None
 0.74A 3v8vB-1dusA:
11.9		 3v8vB-1dusA:
15.76
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 GLY A  58
ASP A  78
ASP A  80
ASP A 100
VAL A 101
ASN A 114
 None
 0.64A 3v8vB-1ne2A:
12.1		 3v8vB-1ne2A:
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.
1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Leishmania
major) 		PF00581
(Rhodanese)
PF09122
(DUF1930) 		5 MET A  92
GLY A  94
ASP A 123
VAL A  31
LEU A 113
 None
 1.18A 3v8vB-1okgA:
0.6		 3v8vB-1okgA:
18.93
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 MET A 287
GLY A 285
VAL A 379
ASN A 289
LEU A 270
 None
 1.19A 3v8vB-1q5dA:
0.0		 3v8vB-1q5dA:
22.22
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 GLY A  59
ASP A  81
ASP A 105
VAL A 106
ASN A 119
PRO A 121
 SAH  A1001 (-3.3A)
None
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.6A)
None
 0.73A 3v8vB-1wy7A:
10.9		 3v8vB-1wy7A:
15.02
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 GLY A 253
ASP A 233
VAL A 202
PRO A 243
LEU A 214
 None
 1.25A 3v8vB-1wytA:
2.0		 3v8vB-1wytA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 ASP A  87
ASP A 113
VAL A 114
ASN A 128
PRO A 130
 None
SAM  A4000 (-3.8A)
SAM  A4000 (-3.9A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
 1.16A 3v8vB-1zq9A:
10.9		 3v8vB-1zq9A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  66
ASP A  87
VAL A 114
ASN A 128
PRO A 130
 SAM  A4000 (-3.2A)
None
SAM  A4000 (-3.9A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
 0.92A 3v8vB-1zq9A:
10.9		 3v8vB-1zq9A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 119
ASP A 140
ASP A 167
ASN A 183
PRO A 185
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.0A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.74A 3v8vB-2b3tA:
15.9		 3v8vB-2b3tA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1
DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus;
Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD)
PF06345
(Drf_DAD) 		5 MET B   6
GLY B   4
ASP B   7
ASN A 218
LEU A 253
 None
 1.17A 3v8vB-2f31B:
undetectable		 3v8vB-2f31B:
3.05
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 GLY A 128
ASP A 154
ASP A 156
ASP A 180
PRO A 198
 SAM  A 400 (-3.3A)
SAM  A 400 (-2.7A)
None
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
 0.56A 3v8vB-2f8lA:
10.3		 3v8vB-2f8lA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		5 ASP A 248
VAL A 260
PRO A 279
TYR A 222
LEU A 254
 None
 1.20A 3v8vB-2gu2A:
undetectable		 3v8vB-2gu2A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 GLY A 239
ASP A 241
VAL A 267
ASN A 275
PRO A 277
 None
 1.22A 3v8vB-2h8xA:
undetectable		 3v8vB-2h8xA:
20.40
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.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 GLY A  74
SER A 114
ASP A 113
ASP A 116
ASN A  12
 None
 0.97A 3v8vB-2hf0A:
undetectable		 3v8vB-2hf0A:
17.60
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLY A  20
ASP A  42
ASP A  60
PRO A  80
LEU A 100
 SAH  A 328 (-3.3A)
None
SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
 0.94A 3v8vB-2i9kA:
9.9		 3v8vB-2i9kA:
19.03
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.
2kny LRP-1, LINKER, APO-E

(Homo sapiens) 		PF00057
(Ldl_recept_a) 		5 GLY A  16
ASP A  35
ASP A  38
VAL A  21
LEU A   2
 None
None
CA  A  81 (-3.2A)
None
None
 1.21A 3v8vB-2knyA:
undetectable		 3v8vB-2knyA:
9.13
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.
2mpo MIC2-ASSOCIATED
PROTEIN

(Toxoplasma
gondii) 		no annotation 5 GLY A  48
SER A  52
ASP A  50
ASN A 173
LEU A 178
 None
 1.21A 3v8vB-2mpoA:
undetectable		 3v8vB-2mpoA:
14.29
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 180
ASP A 214
ASP A 243
ASN A 259
PRO A 261
 SAM  A 500 (-3.2A)
SAM  A 500 (-2.9A)
SAM  A 500 (-3.3A)
SAM  A 500 (-3.9A)
SAM  A 500 (-4.1A)
 0.75A 3v8vB-2okcA:
undetectable		 3v8vB-2okcA:
22.94
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 GLY A  40
ASP A  61
SER A  62
ASP A  63
ASP A  83
 SAH  A 301 (-3.3A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.2A)
 0.60A 3v8vB-2p35A:
9.6		 3v8vB-2p35A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		5 GLY A 206
ASP A 227
VAL A 254
ASN A 268
PRO A 270
 None
 0.90A 3v8vB-2pjdA:
12.7		 3v8vB-2pjdA:
19.03
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 GLY A  68
ASP A  88
ASP A 113
VAL A 114
LEU A 136
 SAH  A 301 ( 3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
None
 0.96A 3v8vB-2pxxA:
11.5		 3v8vB-2pxxA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  86
ASP A 110
ASP A 112
ASP A 135
VAL A 136
 SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
None
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
 0.86A 3v8vB-2qe6A:
10.1		 3v8vB-2qe6A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 MET A   9
GLY A  93
ASP A  92
SER A 831
LEU A 346
 None
 1.24A 3v8vB-2vz9A:
undetectable		 3v8vB-2vz9A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ASP A 291
ASP A 293
ASP A 318
PRO A 339
LEU A 367
 SFG  A5748 (-2.9A)
None
SFG  A5748 (-3.7A)
SFG  A5748 (-4.0A)
None
 1.19A 3v8vB-2yxlA:
13.4		 3v8vB-2yxlA:
21.80
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ASP A 291
ASP A 293
ASP A 318
PRO A 339
LEU A 371
 SFG  A5748 (-2.9A)
None
SFG  A5748 (-3.7A)
SFG  A5748 (-4.0A)
None
 1.10A 3v8vB-2yxlA:
13.4		 3v8vB-2yxlA:
21.80
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.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 VAL A 183
ASN A 337
PRO A 244
TYR A 385
LEU A 172
 None
 1.22A 3v8vB-2z87A:
2.1		 3v8vB-2z87A:
21.75
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		6 GLY A 243
ASP A 264
ASP A 288
VAL A 289
ASN A 305
PRO A 307
 SAH  A 376 (-3.4A)
None
SAH  A 376 (-4.1A)
SAH  A 376 (-4.0A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.65A 3v8vB-2zwvA:
12.7		 3v8vB-2zwvA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 GLY A 205
ASP A 223
ASP A 251
VAL A 252
ASN A 265
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.6A)
ADN  A 401 (-3.8A)
ADN  A 401 (-3.9A)
ADN  A 401 (-4.9A)
 0.92A 3v8vB-3ay0A:
18.6		 3v8vB-3ay0A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 113
ASP A 131
ASP A 157
VAL A 158
LEU A 179
 5GP  A 500 ( 4.5A)
5GP  A 500 (-3.1A)
5GP  A 500 (-2.7A)
5GP  A 500 (-3.6A)
None
 0.77A 3v8vB-3b89A:
5.2		 3v8vB-3b89A:
17.22
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  55
ASP A  74
ASP A  76
ASP A  96
LEU A 120
 None
NHE  A 195 (-3.6A)
None
NHE  A 195 (-4.3A)
EDO  A 197 (-4.0A)
 0.83A 3v8vB-3cggA:
5.9		 3v8vB-3cggA:
16.42
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
ASP A 719
ASP A 721
ASP A 747
PRO A 765
 ADP  A   3 (-3.5A)
ADP  A   3 (-2.9A)
None
ADP  A   3 (-3.4A)
ADP  A   3 (-3.3A)
 0.59A 3v8vB-3egiA:
14.6		 3v8vB-3egiA:
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		5 GLY A  68
SER A  91
ASP A  70
ASP A  92
ASN A  64
 None
 1.18A 3v8vB-3ekmA:
undetectable		 3v8vB-3ekmA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  40
ASP A  61
ASN A 101
PRO A 103
TYR A 104
 None
 0.87A 3v8vB-3fydA:
11.5		 3v8vB-3fydA:
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLY A   9
ASP A  31
ASP A  51
VAL A  52
PRO A  78
 None
 1.07A 3v8vB-3g7uA:
5.4		 3v8vB-3g7uA:
19.92
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
ASP A 719
ASP A 721
ASP A 747
PRO A 765
 SAH  A 854 (-3.3A)
SAH  A 854 (-2.9A)
None
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 0.66A 3v8vB-3gdhA:
15.3		 3v8vB-3gdhA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A  11
ASP A  33
ASP A  35
ASP A  55
VAL A  56
 None
 0.85A 3v8vB-3gedA:
7.0		 3v8vB-3gedA:
18.36
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  38
ASP A  60
ASP A  62
ASP A  83
VAL A  84
 None
 0.85A 3v8vB-3gvcA:
6.8		 3v8vB-3gvcA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 458
SER A 504
ASP A 476
VAL A 506
LEU A 472
 None
 1.18A 3v8vB-3h09A:
undetectable		 3v8vB-3h09A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 GLY A 248
ASP A 249
ASP A 281
VAL A 280
ASN A 307
 None
FE  A 602 (-3.1A)
None
None
None
 1.27A 3v8vB-3icfA:
undetectable		 3v8vB-3icfA:
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
ASP A 259
ASP A 261
VAL A 288
LEU A 319
 None
 0.72A 3v8vB-3k0bA:
36.0		 3v8vB-3k0bA:
24.41
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
ASP A 259
VAL A 288
ASN A 303
LEU A 319
 None
 0.98A 3v8vB-3k0bA:
36.0		 3v8vB-3k0bA:
24.41
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
ASP A 259
VAL A 288
PRO A 304
LEU A 319
 None
 1.20A 3v8vB-3k0bA:
36.0		 3v8vB-3k0bA:
24.41
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.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		5 GLY A 325
ASP A 262
ASN A 332
TYR A 374
LEU A 297
 None
 1.20A 3v8vB-3k50A:
undetectable		 3v8vB-3k50A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 253
SER A 290
ASP A 317
ASN A 335
PRO A 337
 None
 0.77A 3v8vB-3khkA:
8.9		 3v8vB-3khkA:
21.21
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.
3l86 ACETYLGLUTAMATE
KINASE

(Streptococcus
mutans) 		PF00696
(AA_kinase) 		5 ASP A  69
SER A  66
ASP A  68
VAL A  64
PRO A  55
 None
 1.27A 3v8vB-3l86A:
4.6		 3v8vB-3l86A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 GLY A 204
ASP A 263
ASP A 265
ASN A 307
PRO A 309
LEU A 323
 SAH  A 385 (-3.4A)
SAH  A 385 (-2.8A)
None
SAH  A 385 (-4.3A)
SAH  A 385 (-4.2A)
None
 0.46A 3v8vB-3ldgA:
37.2		 3v8vB-3ldgA:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		8 MET A 200
GLY A 202
ASP A 261
ASP A 263
ASP A 289
ASN A 305
PRO A 307
LEU A 321
 GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.0A)
None
GTP  A 383 ( 3.8A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
None
 0.61A 3v8vB-3lduA:
37.4		 3v8vB-3lduA:
24.25
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 MET A 200
GLY A 202
ASP A 261
ASP A 289
ASN A 305
LEU A 325
 GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.0A)
GTP  A 383 ( 3.8A)
GTP  A 383 (-4.2A)
None
 1.16A 3v8vB-3lduA:
37.4		 3v8vB-3lduA:
24.25
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 231
ASP A 284
ASN A 304
PRO A 306
TYR A 307
 None
 1.25A 3v8vB-3lkdA:
10.1		 3v8vB-3lkdA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lku UPF0363 PROTEIN
YOR164C

(Saccharomyces
cerevisiae) 		PF04190
(DUF410) 		5 GLY A 160
ASP A 163
ASP A 170
VAL A 169
ASN A 203
 None
 1.25A 3v8vB-3lkuA:
undetectable		 3v8vB-3lkuA:
17.50
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.
3lku UPF0363 PROTEIN
YOR164C

(Saccharomyces
cerevisiae) 		PF04190
(DUF410) 		5 MET A 165
GLY A 160
ASP A 170
VAL A 169
ASN A 203
 None
 1.26A 3v8vB-3lkuA:
undetectable		 3v8vB-3lkuA:
17.50
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.
3lyk STRINGENT STARVATION
PROTEIN A HOMOLOG

(Haemophilus
influenzae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 SER A 195
ASP A 194
VAL A  28
PRO A  86
LEU A  88
 None
 0.82A 3v8vB-3lykA:
undetectable		 3v8vB-3lykA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 GLY A 199
ASP A 200
VAL A 180
ASN A 124
LEU A 171
 None
None
None
STE  A 301 (-4.2A)
None
 1.14A 3v8vB-3nyiA:
undetectable		 3v8vB-3nyiA:
19.10
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 ASP A 483
VAL A 487
ASN A 556
PRO A 558
LEU A 560
 None
 1.25A 3v8vB-3nzqA:
2.5		 3v8vB-3nzqA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		5 GLY A 125
ASP A 147
ASP A 149
ASP A 175
ASN A 191
 None
None
None
None
PLM  A 305 ( 4.3A)
 0.73A 3v8vB-3ocjA:
13.1		 3v8vB-3ocjA:
19.38
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		7 GLY A 331
ASP A 355
ASP A 388
VAL A 389
ASN A 406
PRO A 408
TYR A 409
 SAH  A 900 (-3.2A)
SAH  A 900 (-2.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
 1.08A 3v8vB-3s1sA:
9.5		 3v8vB-3s1sA:
22.58
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A 172
SER A 165
ASP A 167
VAL A 163
ASN A 127
 None
None
None
None
NAD  A 300 ( 4.6A)
 1.21A 3v8vB-3sx2A:
3.4		 3v8vB-3sx2A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 MET A 225
GLY A 227
ASP A 276
ASN A 293
PRO A 295
LEU A 309
 SFG  A 401 (-3.9A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-3.4A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
None
 0.59A 3v8vB-3tm5A:
27.7		 3v8vB-3tm5A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 GLY A 194
ASP A 216
ASP A 218
ASN A 260
PRO A 262
LEU A 276
 None
 0.53A 3v8vB-3tmaA:
26.4		 3v8vB-3tmaA:
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 GLY A 194
ASP A 216
ASP A 243
ASN A 260
PRO A 262
LEU A 276
 None
 0.62A 3v8vB-3tmaA:
26.4		 3v8vB-3tmaA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		11 MET A 197
GLY A 199
ASP A 262
SER A 263
ASP A 264
ASP A 290
VAL A 291
ASN A 309
PRO A 311
TYR A 312
LEU A 325
 SAM  A 801 (-4.5A)
SAM  A 801 (-3.2A)
SAM  A 801 (-2.9A)
SAM  A 801 (-3.5A)
None
SAM  A 801 (-3.0A)
SAM  A 801 (-3.8A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
None
SAM  A 801 ( 4.8A)
 0.34A 3v8vB-3v8vA:
51.5		 3v8vB-3v8vA:
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  20
ASP A  42
ASP A  44
ASP A  75
VAL A  76
 NAD  A 301 ( 3.9A)
NAD  A 301 (-2.4A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
 0.86A 3v8vB-4cqlA:
6.2		 3v8vB-4cqlA:
15.69
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.
4f3q TRANSCRIPTIONAL
REGULATORY PROTEIN
CBU_1566

(Coxiella
burnetii) 		PF01709
(Transcrip_reg) 		5 GLY A  89
SER A 235
VAL A 207
PRO A  92
LEU A 209
 None
 1.16A 3v8vB-4f3qA:
undetectable		 3v8vB-4f3qA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		6 GLY A  65
ASP A  87
ASP A 111
VAL A 112
ASN A 141
PRO A 143
 None
None
None
None
None
ACT  A 402 ( 4.9A)
 1.00A 3v8vB-4gc5A:
10.7		 3v8vB-4gc5A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		5 MET A  34
GLY A  38
ASP A  37
VAL A  30
LEU A  97
 None
 1.08A 3v8vB-4infA:
undetectable		 3v8vB-4infA:
19.94
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  16
ASP A  38
ASP A  40
ASP A  64
VAL A  65
 NAI  A 301 ( 4.6A)
NAI  A 301 (-2.8A)
None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
 0.75A 3v8vB-4ituA:
5.9		 3v8vB-4ituA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  63
ASP A  83
ASP A 108
TYR A 158
LEU A 131
 SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.5A)
None
None
 1.00A 3v8vB-4iv8A:
12.2		 3v8vB-4iv8A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 GLY H  64
ASP H  61
PRO H 176
TYR H 178
LEU H 197
 None
 1.22A 3v8vB-4l0oH:
undetectable		 3v8vB-4l0oH:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  62
ASP A  82
ASP A 107
TYR A 157
LEU A 130
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
PO4  A 302 (-4.5A)
None
 0.73A 3v8vB-4mwzA:
11.8		 3v8vB-4mwzA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  54
ASP A  67
VAL A  66
ASN A  56
LEU A 116
 None
 1.08A 3v8vB-4o6vA:
6.5		 3v8vB-4o6vA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 GLY A1100
ASP A1150
ASP A1151
VAL A1147
PRO A1302
 None
 1.00A 3v8vB-4r04A:
undetectable		 3v8vB-4r04A:
17.18
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  65
ASP A  85
ASP A 110
TYR A 160
LEU A 133
 SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.6A)
PC  A 301 (-4.4A)
None
 0.82A 3v8vB-4r6wA:
12.0		 3v8vB-4r6wA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 GLY A 642
ASP A 686
VAL A 687
PRO A 709
LEU A 730
 SAH  A1004 (-3.3A)
SAH  A1004 (-3.0A)
SAH  A1004 (-3.7A)
SAH  A1004 ( 3.9A)
SAH  A1004 ( 4.9A)
 0.91A 3v8vB-4u7tA:
7.4		 3v8vB-4u7tA:
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.
4wep PUTATIVE
OSMOPROTECTANT
UPTAKE SYSTEM
SUBSTRATE-BINDING
PROTEIN OSMF

(Escherichia
coli) 		PF04069
(OpuAC) 		5 GLY A  30
ASP A  77
VAL A  47
PRO A 247
LEU A 264
 None
 1.08A 3v8vB-4wepA:
undetectable		 3v8vB-4wepA:
18.45
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 GLY C 281
ASP C 350
ASP C 374
VAL C 295
ASN C 283
 None
 1.23A 3v8vB-4wjgC:
undetectable		 3v8vB-4wjgC:
18.07
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 GLY A 207
SER A 184
ASP A 185
PRO A 296
TYR A 218
 None
 1.26A 3v8vB-4y9wA:
undetectable		 3v8vB-4y9wA:
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ASP A 533
ASP A 536
ASP A 505
VAL A 432
ASN A 173
 None
 1.26A 3v8vB-5df0A:
undetectable		 3v8vB-5df0A:
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 189
ASP A 208
ASP A 235
PRO A 256
LEU A 271
 SAM  A 400 (-3.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.2A)
None
 0.70A 3v8vB-5e72A:
17.0		 3v8vB-5e72A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  40
ASP A  42
ASN A  89
LEU A 113
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-4.5A)
 1.20A 3v8vB-5en4A:
7.0		 3v8vB-5en4A:
18.03
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		6 GLY A  18
ASP A  40
ASP A  42
ASP A  62
VAL A  63
LEU A 113
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.4A)
NAD  A 301 (-3.7A)
NAD  A 301 (-4.5A)
 0.72A 3v8vB-5en4A:
7.0		 3v8vB-5en4A:
18.03
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 GLY A 321
ASP A 327
VAL A 328
ASN A 318
LEU A 451
 None
None
None
DQR  A 544 (-3.1A)
None
 1.14A 3v8vB-5g5zA:
undetectable		 3v8vB-5g5zA:
22.83
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.
5gjn LYSINE/ORNITHINE
DECARBOXYLASE

(Selenomonas
ruminantium) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 MET A  50
GLY A 257
VAL A  71
ASN A  53
LEU A  80
 None
GOL  A 401 ( 3.1A)
None
None
None
 1.12A 3v8vB-5gjnA:
undetectable		 3v8vB-5gjnA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  23
ASP A  45
ASP A  47
ASP A  71
VAL A  72
 None
 0.79A 3v8vB-5ha5A:
4.4		 3v8vB-5ha5A:
18.22
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		5 GLY A  15
ASP A  37
ASP A  39
ASP A  63
ASN A  90
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.9A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.3A)
 1.26A 3v8vB-5ig2A:
7.5		 3v8vB-5ig2A:
18.16
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		5 GLY A  15
ASP A  37
ASP A  39
ASP A  63
VAL A  64
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.9A)
None
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
 0.78A 3v8vB-5ig2A:
7.5		 3v8vB-5ig2A:
18.16
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 GLY C  68
ASP C  60
VAL C  51
TYR C 114
LEU C 153
 None
 1.27A 3v8vB-5ip7C:
undetectable		 3v8vB-5ip7C:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  18
ASP A  40
ASP A  42
ASP A  61
VAL A  62
 NAD  A 401 ( 4.0A)
NAD  A 401 (-2.9A)
None
NAD  A 401 (-3.7A)
NAD  A 401 (-3.6A)
 0.77A 3v8vB-5jlaA:
7.1		 3v8vB-5jlaA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		5 GLY A 321
ASP A 288
VAL A 292
ASN A 318
LEU A 326
 None
 1.27A 3v8vB-5kh0A:
undetectable		 3v8vB-5kh0A:
21.27
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.
5l7z MATERNAL PROTEIN
EXUPERANTIA

(Drosophila
melanogaster) 		no annotation 5 GLY A  44
VAL A  83
PRO A  69
TYR A  70
LEU A  94
 None
 1.25A 3v8vB-5l7zA:
undetectable		 3v8vB-5l7zA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l80 MATERNAL PROTEIN
EXUPERANTIA,MATERNAL
PROTEIN EXUPERANTIA

(Drosophila
melanogaster) 		no annotation 5 GLY A  44
VAL A  83
PRO A  69
TYR A  70
LEU A  94
 None
 1.27A 3v8vB-5l80A:
undetectable		 3v8vB-5l80A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 MET B   9
GLY B  93
ASP B  92
SER B 831
LEU B 346
 None
 1.21A 3v8vB-5my0B:
2.5		 3v8vB-5my0B:
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B

(Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG) 		5 GLY B  17
SER B 278
VAL B 284
PRO B 272
LEU B 288
 None
 1.16A 3v8vB-5odrB:
undetectable		 3v8vB-5odrB:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		5 GLY A 289
ASP A 295
SER A 154
PRO A  29
LEU A 527
 ZN  A 604 ( 4.9A)
ZN  A 604 (-2.4A)
None
None
None
 1.24A 3v8vB-5tj3A:
undetectable		 3v8vB-5tj3A:
20.70
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 133
ASP A 152
ASP A 179
ASN A 194
PRO A 196
 SAH  A 414 (-2.8A)
SAH  A 414 (-2.1A)
SAH  A 414 (-2.9A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
 0.64A 3v8vB-5u4tA:
14.4		 3v8vB-5u4tA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 5 GLY A 435
ASP A 439
ASP A 537
VAL A 538
LEU A 514
 None
 1.14A 3v8vB-5ukhA:
undetectable		 3v8vB-5ukhA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  63
ASP A  82
ASP A 107
VAL A 108
LEU A 132
 SAH  A 701 (-3.5A)
SAH  A 701 (-2.9A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
None
 0.88A 3v8vB-5wp4A:
13.3		 3v8vB-5wp4A:
21.91
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  63
ASP A  82
ASP A 107
VAL A 108
LEU A 132
 SAH  A 502 (-3.5A)
SAH  A 502 (-2.9A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
None
 0.90A 3v8vB-5wp5A:
13.2		 3v8vB-5wp5A:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 GLY A 642
ASP A 686
VAL A 687
PRO A 709
LEU A 730
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.8A)
 0.87A 3v8vB-6brrA:
7.2		 3v8vB-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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY
CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca;
Thermobifida
fusca) 		no annotation
no annotation 		5 GLY G 503
ASP G 804
ASP G 802
ASN A  87
PRO A  85
 None
 1.24A 3v8vB-6c66G:
undetectable		 3v8vB-6c66G:
undetectable