SIMILAR PATTERNS OF AMINO ACIDS FOR 3V8V_A_SAMA801_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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)

(Saccharomyces
cerevisiae) 		PF01088
(Peptidase_C12) 		5 ILE A  55
SER A  98
THR A 169
SER A 104
PRO A  51
 None
 1.18A 3v8vA-1cmxA:
undetectable		 3v8vA-1cmxA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 SER A 703
ASP A 702
VAL A 706
ASN A 900
LEU A 896
 None
 1.15A 3v8vA-1hwwA:
undetectable		 3v8vA-1hwwA:
22.38
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.
1o6b PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 ILE A  22
GLY A  17
VAL A 142
PRO A  13
LEU A 154
 None
ADP  A 173 (-3.6A)
None
None
None
 1.12A 3v8vA-1o6bA:
2.3		 3v8vA-1o6bA:
13.54
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 214
SER A 215
ASP A 252
VAL A 102
LEU A 104
 None
 1.19A 3v8vA-1o94A:
4.8		 3v8vA-1o94A:
21.28
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 MET A 287
GLY A 285
VAL A 379
ASN A 289
LEU A 270
 None
 1.17A 3v8vA-1q5dA:
undetectable		 3v8vA-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.
1q6h FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA

(Escherichia
coli) 		PF00254
(FKBP_C)
PF01346
(FKBP_N) 		5 ILE A 208
GLY A 148
ASP A 217
VAL A 144
LEU A 181
 None
 0.80A 3v8vA-1q6hA:
undetectable		 3v8vA-1q6hA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 451
THR A 485
ASP A 511
VAL A 103
LEU A 423
 None
 1.20A 3v8vA-1qgdA:
2.3		 3v8vA-1qgdA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor;
Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 MET B 150
GLY B 152
THR A 268
ASP B  97
LEU B  83
 None
 1.00A 3v8vA-1tqyB:
2.2		 3v8vA-1tqyB:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 MET A  52
GLY A 117
SER A 118
VAL A  50
LEU A  67
 None
NDP  A 188 (-2.3A)
NDP  A 188 (-3.0A)
None
MTX  A 187 ( 4.5A)
 1.11A 3v8vA-1u70A:
undetectable		 3v8vA-1u70A:
13.55
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 MET A  52
GLY A 117
SER A 118
VAL A  50
LEU A  67
 None
SO4  A 188 (-3.4A)
None
None
None
 1.04A 3v8vA-1u71A:
2.4		 3v8vA-1u71A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		5 GLY A 266
THR A 245
ASP A 268
VAL A 400
LEU A 402
 NAD  A1503 (-4.7A)
None
None
None
None
 1.04A 3v8vA-1uxtA:
5.2		 3v8vA-1uxtA:
22.78
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		5 GLY A 148
SER A 147
THR A  30
SER A 331
LEU A 350
 None
 1.04A 3v8vA-1v4gA:
undetectable		 3v8vA-1v4gA:
23.16
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.
1vc2 GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 PRO A  77
ILE A  80
SER A 145
VAL A 319
ASN A   6
 None
None
None
None
NAD  A 336 ( 3.9A)
 1.21A 3v8vA-1vc2A:
4.1		 3v8vA-1vc2A:
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 GLY A  65
SER A  66
ASP A  86
VAL A 111
LEU A 141
 None
 1.10A 3v8vA-1ws6A:
13.0		 3v8vA-1ws6A:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 GLY A  65
SER A  66
ASP A  86
VAL A 111
PRO A 133
 None
 0.91A 3v8vA-1ws6A:
13.0		 3v8vA-1ws6A:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  59
ASP A  81
VAL A 106
ASN A 119
PRO A 121
 SAH  A1001 (-3.3A)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-4.6A)
None
 0.44A 3v8vA-1wy7A:
15.6		 3v8vA-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.
1x42 HYPOTHETICAL PROTEIN
PH0459

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 GLY A 119
SER A 144
THR A 146
VAL A 105
LEU A 219
 None
 1.20A 3v8vA-1x42A:
undetectable		 3v8vA-1x42A:
16.24
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 169
GLY A 132
ASP A 201
VAL A 124
LEU A 115
 None
 1.17A 3v8vA-1xj5A:
11.7		 3v8vA-1xj5A:
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.
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)
 0.83A 3v8vA-1zq9A:
13.3		 3v8vA-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.
2ddu REELIN

(Mus musculus) 		no annotation 5 THR A1496
SER A1418
ASP A1539
VAL A1442
PRO A1572
 None
 1.05A 3v8vA-2dduA:
undetectable		 3v8vA-2dduA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 GLY A  62
SER A  63
ASP A  84
PRO A 129
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 1.18A 3v8vA-2fpoA:
17.3		 3v8vA-2fpoA:
15.91
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.
2h18 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
8A

(Homo sapiens) 		PF00025
(Arf) 		5 ILE A 144
GLY A 129
SER A  31
ASP A  97
VAL A  26
 None
None
GDP  A 201 (-3.4A)
None
None
 1.15A 3v8vA-2h18A:
undetectable		 3v8vA-2h18A:
13.59
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 MET A 130
GLY A 134
VAL A 232
PRO A 137
LEU A 198
 None
 1.04A 3v8vA-2iwzA:
undetectable		 3v8vA-2iwzA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 ILE A 144
MET A  57
ASP A  19
VAL A  77
LEU A  71
 ILE  A 144 ( 0.7A)
VAL  A  77 ( 3.9A)
ASP  A  19 ( 0.6A)
VAL  A  77 ( 0.6A)
LEU  A  71 ( 0.6A)
 1.21A 3v8vA-2nvvA:
undetectable		 3v8vA-2nvvA:
22.80
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 GLY A  90
SER A  89
THR A  95
VAL A  53
ASN A 128
 SAH  A 301 (-3.4A)
None
None
None
None
 1.19A 3v8vA-2pbfA:
4.2		 3v8vA-2pbfA:
15.94
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 ILE A 129
GLY A  90
SER A  89
THR A  95
VAL A  53
 None
SAH  A 301 (-3.4A)
None
None
None
 1.14A 3v8vA-2pbfA:
4.2		 3v8vA-2pbfA:
15.94
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PRO A 825
ILE A 823
GLY A 682
VAL A 735
LEU A 748
 None
 1.06A 3v8vA-2pffA:
5.8		 3v8vA-2pffA:
13.92
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 5 PRO A 226
ILE A 225
GLY A 196
VAL A 160
LEU A 171
 None
 0.95A 3v8vA-2pigA:
undetectable		 3v8vA-2pigA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 269
GLY A 249
ASP A 254
VAL A 229
LEU A 233
 NAP  A1372 (-4.5A)
None
None
None
None
 1.12A 3v8vA-2wekA:
9.0		 3v8vA-2wekA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 GLY A 222
THR A 214
VAL A  89
PRO A 152
LEU A  91
 None
 1.18A 3v8vA-2wknA:
undetectable		 3v8vA-2wknA:
21.56
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.
2xal INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Arabidopsis
thaliana) 		PF06090
(Ins_P5_2-kin) 		5 THR A 235
ASP A 216
VAL A 295
ASN A 239
PRO A 169
 None
 1.18A 3v8vA-2xalA:
undetectable		 3v8vA-2xalA:
20.78
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.
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		5 PRO A  95
MET A 130
GLY A 132
SER A 107
PRO A 100
 None
IOD  A1294 ( 4.0A)
None
None
IOD  A1294 ( 4.5A)
 1.18A 3v8vA-2xnhA:
undetectable		 3v8vA-2xnhA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 PRO A  73
ILE A  78
GLY A  69
VAL A  19
LEU A  28
 None
 1.13A 3v8vA-2yw2A:
4.5		 3v8vA-2yw2A:
21.76
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLY A 243
ASP A 264
VAL A 289
ASN A 305
PRO A 307
 SAH  A 376 (-3.4A)
None
SAH  A 376 (-4.0A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.62A 3v8vA-2zwvA:
13.3		 3v8vA-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.
3a75 GAMMA-GLUTAMYLTRANSP
EPTIDASE LARGE CHAIN

(Bacillus
subtilis) 		PF01019
(G_glu_transpept) 		5 ILE A  91
THR A 228
ASN A  82
PRO A  86
LEU A 187
 None
 1.11A 3v8vA-3a75A:
undetectable		 3v8vA-3a75A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3biw NEUROLIGIN-1

(Rattus
norvegicus) 		PF00135
(COesterase) 		5 ILE A 121
GLY A 202
SER A 203
SER A 280
LEU A 533
 None
 1.13A 3v8vA-3biwA:
undetectable		 3v8vA-3biwA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		5 MET A 104
GLY A 166
SER A 167
VAL A 102
LEU A 119
 RJ6  A 609 ( 4.0A)
NDP  A 610 (-2.9A)
NDP  A 610 (-2.6A)
None
RJ6  A 609 (-4.4A)
 1.00A 3v8vA-3dg8A:
undetectable		 3v8vA-3dg8A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3flo DNA POLYMERASE ALPHA
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 PRO A 634
GLY A 400
ASP A 437
PRO A 486
LEU A 503
 SO4  A  48 (-4.5A)
None
None
None
None
 1.12A 3v8vA-3floA:
undetectable		 3v8vA-3floA:
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 PRO A  92
GLY A 456
SER A 504
VAL A 479
LEU A 472
 None
 1.20A 3v8vA-3h09A:
undetectable		 3v8vA-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.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 GLY A 278
THR A 188
VAL A 165
PRO A 205
LEU A 169
 None
 1.13A 3v8vA-3hzuA:
undetectable		 3v8vA-3hzuA:
17.42
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		5 GLY A  70
THR A 185
VAL A 102
ASN A  83
LEU A  92
 None
 1.18A 3v8vA-3icoA:
undetectable		 3v8vA-3icoA:
19.08
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
SER A 201
ASP A 261
VAL A 288
LEU A 319
 None
 0.76A 3v8vA-3k0bA:
40.6		 3v8vA-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
SER A 201
VAL A 288
ASN A 303
LEU A 319
 None
 1.03A 3v8vA-3k0bA:
40.6		 3v8vA-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
SER A 201
VAL A 288
PRO A 304
LEU A 319
 None
 1.21A 3v8vA-3k0bA:
40.6		 3v8vA-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) 		6 ILE A 174
GLY A 200
SER A 201
THR A 203
VAL A 288
ASN A 303
 None
 0.91A 3v8vA-3k0bA:
40.6		 3v8vA-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 PRO A 173
GLY A 200
SER A 201
VAL A 288
PRO A 304
 None
 1.15A 3v8vA-3k0bA:
40.6		 3v8vA-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) 		7 PRO A 173
ILE A 174
GLY A 200
SER A 201
THR A 203
ASP A 261
VAL A 288
 None
 0.98A 3v8vA-3k0bA:
40.6		 3v8vA-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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 253
SER A 254
SER A 290
ASN A 335
PRO A 337
 None
 0.63A 3v8vA-3khkA:
11.9		 3v8vA-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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		8 ILE A 178
GLY A 204
SER A 205
THR A 207
ASP A 265
ASN A 307
PRO A 309
LEU A 323
 SAH  A 385 (-4.2A)
SAH  A 385 (-3.4A)
SAH  A 385 (-2.6A)
SAH  A 385 (-3.5A)
None
SAH  A 385 (-4.3A)
SAH  A 385 (-4.2A)
None
 0.53A 3v8vA-3ldgA:
40.8		 3v8vA-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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 PRO A 177
GLY A 204
SER A 205
THR A 207
ASP A 265
LEU A 315
 SAH  A 385 (-4.5A)
SAH  A 385 (-3.4A)
SAH  A 385 (-2.6A)
SAH  A 385 (-3.5A)
None
None
 1.39A 3v8vA-3ldgA:
40.8		 3v8vA-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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 PRO A 177
ILE A 178
GLY A 204
SER A 205
THR A 207
ASP A 265
 SAH  A 385 (-4.5A)
SAH  A 385 (-4.2A)
SAH  A 385 (-3.4A)
SAH  A 385 (-2.6A)
SAH  A 385 (-3.5A)
None
 1.19A 3v8vA-3ldgA:
40.8		 3v8vA-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) 		7 ILE A 176
MET A 200
GLY A 202
SER A 203
THR A 205
ASN A 305
LEU A 325
 GTP  A 383 (-3.8A)
GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-2.7A)
GTP  A 383 (-3.5A)
GTP  A 383 (-4.2A)
None
 1.30A 3v8vA-3lduA:
41.6		 3v8vA-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) 		9 ILE A 176
MET A 200
GLY A 202
SER A 203
THR A 205
ASP A 263
ASN A 305
PRO A 307
LEU A 321
 GTP  A 383 (-3.8A)
GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-2.7A)
GTP  A 383 (-3.5A)
None
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
None
 0.66A 3v8vA-3lduA:
41.6		 3v8vA-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.
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 3v8vA-3lykA:
undetectable		 3v8vA-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.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 479
SER A 486
VAL A 475
PRO A 199
LEU A 270
 None
 1.19A 3v8vA-3n3zA:
undetectable		 3v8vA-3n3zA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 GLY A  71
THR A 184
VAL A 103
ASN A  84
LEU A  93
 None
 1.15A 3v8vA-3oc6A:
undetectable		 3v8vA-3oc6A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica;
Salmonella
enterica) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 GLY B 162
SER B 163
THR B 165
ASN B 171
PRO A  57
 None
 0.85A 3v8vA-3pr2B:
2.7		 3v8vA-3pr2B:
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 142
GLY A 105
ASP A 173
VAL A  97
LEU A  88
 None
None
DSH  A 303 (-3.0A)
None
None
 1.13A 3v8vA-3rw9A:
9.9		 3v8vA-3rw9A:
16.91
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 331
SER A 332
VAL A 389
ASN A 406
PRO A 408
 SAH  A 900 (-3.2A)
SAH  A 900 (-2.6A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
 0.61A 3v8vA-3s1sA:
11.8		 3v8vA-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.
3si9 DIHYDRODIPICOLINATE
SYNTHASE

(Bartonella
henselae) 		PF00701
(DHDPS) 		5 ILE A  40
SER A 209
THR A  11
VAL A 187
ASN A  41
 None
None
None
EDO  A 801 (-3.7A)
None
 1.11A 3v8vA-3si9A:
undetectable		 3v8vA-3si9A:
17.76
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		7 MET A 225
GLY A 227
SER A 228
THR A 230
ASN A 293
PRO A 295
LEU A 309
 SFG  A 401 (-3.9A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-3.6A)
SFG  A 401 (-3.3A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
None
 0.67A 3v8vA-3tm5A:
31.1		 3v8vA-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) 		7 GLY A 194
SER A 195
THR A 197
ASP A 218
ASN A 260
PRO A 262
LEU A 276
 None
 0.72A 3v8vA-3tmaA:
29.8		 3v8vA-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) 		12 PRO A 172
ILE A 173
MET A 197
GLY A 199
SER A 200
THR A 202
SER A 263
ASP A 264
VAL A 291
ASN A 309
PRO A 311
LEU A 325
 SAM  A 801 ( 4.7A)
SAM  A 801 ( 4.9A)
SAM  A 801 (-4.5A)
SAM  A 801 (-3.2A)
SAM  A 801 (-3.0A)
SAM  A 801 (-4.1A)
SAM  A 801 (-3.5A)
None
SAM  A 801 (-3.8A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
SAM  A 801 ( 4.8A)
 0.00A 3v8vA-3v8vA:
62.9		 3v8vA-3v8vA:
100.00
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) 		8 PRO A 172
ILE A 173
SER A 200
THR A 202
ASP A 264
ASN A 309
PRO A 311
LEU A 322
 SAM  A 801 ( 4.7A)
SAM  A 801 ( 4.9A)
SAM  A 801 (-3.0A)
SAM  A 801 (-4.1A)
None
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
None
 1.46A 3v8vA-3v8vA:
62.9		 3v8vA-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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 PRO A  41
GLY A  64
ASP A 309
VAL A  24
LEU A  55
 None
 1.16A 3v8vA-4bkoA:
6.7		 3v8vA-4bkoA:
21.76
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ILE A  72
GLY A  87
THR A  80
ASP A 182
LEU A 235
 None
None
None
HEM  A 500 (-4.7A)
HEM  A 500 (-3.8A)
 1.16A 3v8vA-4bm1A:
undetectable		 3v8vA-4bm1A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 PRO A 412
GLY A 342
SER A 381
THR A 383
ASP A 344
 None
 1.06A 3v8vA-4bq4A:
undetectable		 3v8vA-4bq4A:
22.65
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  23
GLY A  20
SER A  21
ASP A  44
LEU A  85
 NAD  A 301 (-3.7A)
NAD  A 301 ( 3.9A)
NAD  A 301 (-3.1A)
None
None
 1.20A 3v8vA-4cqlA:
6.9		 3v8vA-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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 389
GLY A 542
SER A 541
THR A 408
LEU A 367
 None
 1.15A 3v8vA-4cw4A:
3.6		 3v8vA-4cw4A:
22.30
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.
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
 1.09A 3v8vA-4f3qA:
3.5		 3v8vA-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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 MET A1001
GLY A 995
THR A 997
VAL A 860
LEU A1041
 None
 1.18A 3v8vA-4fxdA:
undetectable		 3v8vA-4fxdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  65
ASP A  87
VAL A 112
ASN A 141
PRO A 143
 None
None
None
None
ACT  A 402 ( 4.9A)
 0.85A 3v8vA-4gc5A:
15.0		 3v8vA-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.
4hcj THIJ/PFPI DOMAIN
PROTEIN

(Brachyspira
murdochii) 		PF01965
(DJ-1_PfpI) 		5 ILE A  76
MET A  11
GLY A  74
SER A 106
VAL A  37
 None
None
None
None
FMT  A 205 (-4.5A)
 1.16A 3v8vA-4hcjA:
3.6		 3v8vA-4hcjA:
12.57
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 ILE A1358
GLY A1100
ASP A1151
VAL A1147
PRO A1302
 None
 1.18A 3v8vA-4r04A:
undetectable		 3v8vA-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.
4udj UHGB_MP

(uncultured
organism) 		PF04041
(Glyco_hydro_130) 		5 ILE A 314
GLY A 225
VAL A 197
PRO A 219
LEU A 166
 None
None
K  A 333 (-4.6A)
None
None
 0.99A 3v8vA-4udjA:
undetectable		 3v8vA-4udjA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wrw URACIL-DNA
GLYCOSYLASE

(Mycobacterium
tuberculosis) 		PF03167
(UDG) 		5 PRO A 194
ILE A  97
GLY A  66
ASP A 171
LEU A 179
 None
None
GOL  A 307 (-3.5A)
None
None
 1.12A 3v8vA-4wrwA:
undetectable		 3v8vA-4wrwA:
17.76
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ILE A 159
GLY A 270
SER A 273
VAL A 366
PRO A 295
 None
 1.19A 3v8vA-4wzzA:
2.2		 3v8vA-4wzzA:
19.69
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.
4y9s EPOXIDE HYDROLASE

(Solanum
tuberosum) 		PF00561
(Abhydrolase_1) 		5 GLY A  61
THR A 226
VAL A  11
PRO A  57
LEU A  88
 None
 1.10A 3v8vA-4y9sA:
undetectable		 3v8vA-4y9sA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ILE A 258
GLY A 287
SER A 282
VAL A 272
LEU A 220
 None
 1.20A 3v8vA-4z7rA:
undetectable		 3v8vA-4z7rA:
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.
4zn0 THIOREDOXIN
REDUCTASE

(Methanosarcina
mazei) 		PF07992
(Pyr_redox_2) 		5 ILE A 218
THR A 233
ASP A 158
VAL A 188
LEU A 178
 None
 1.14A 3v8vA-4zn0A:
3.7		 3v8vA-4zn0A:
19.88
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.
4zwo ORGANOPHOSPHATE
ANHYDROLASE/PROLIDAS
E

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 ILE A 320
SER A 389
ASP A 393
PRO A 331
LEU A 225
 None
 1.13A 3v8vA-4zwoA:
2.1		 3v8vA-4zwoA:
22.38
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 509
MET A 524
GLY A 484
ASP A 486
LEU A 557
 None
 1.19A 3v8vA-5a7mA:
2.7		 3v8vA-5a7mA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 PRO A 145
ILE A 146
GLY A  18
ASP A 117
LEU A 174
 None
None
ASN  A 601 (-3.5A)
ASN  A 601 (-3.0A)
None
 1.20A 3v8vA-5dneA:
undetectable		 3v8vA-5dneA:
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 MET A  77
GLY A  28
SER A  29
VAL A  75
LEU A  86
 None
ISC  A 602 (-3.6A)
ISC  A 602 (-4.5A)
None
None
 1.18A 3v8vA-5esoA:
3.7		 3v8vA-5esoA:
24.10
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.
5fah KALLIKREIN-7

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A  69
SER A  70
THR A  72
VAL A  52
LEU A 108
 None
 1.18A 3v8vA-5fahA:
undetectable		 3v8vA-5fahA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fd4 COMR

(Streptococcus
suis) 		PF13560
(HTH_31) 		5 ILE A 124
SER A 131
THR A 140
SER A 217
LEU A 196
 None
 1.11A 3v8vA-5fd4A:
undetectable		 3v8vA-5fd4A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 PRO C 175
GLY C 167
SER C 168
THR C 162
ASP C 224
 None
None
None
None
SO4  C1579 ( 3.7A)
 1.19A 3v8vA-5fseC:
2.3		 3v8vA-5fseC:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 THR B 975
ASP B1015
VAL B 943
PRO B 980
LEU B 951
 FMT  B4008 (-4.4A)
None
None
None
None
 1.13A 3v8vA-5gztB:
undetectable		 3v8vA-5gztB:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 THR A 975
ASP A1015
VAL A 943
PRO A 980
LEU A 951
 None
 1.14A 3v8vA-5gzuA:
2.7		 3v8vA-5gzuA:
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 GLY A 197
SER A 198
THR A 200
SER A 217
PRO A  31
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
SAM  A 301 ( 4.0A)
 0.65A 3v8vA-5hfjA:
4.1		 3v8vA-5hfjA:
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		5 GLY A 565
SER A 564
SER A 598
ASP A 597
VAL A 551
 None
 1.09A 3v8vA-5j8jA:
2.1		 3v8vA-5j8jA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ILE A  74
GLY A 185
VAL A 191
PRO A  63
LEU A  49
 None
FAD  A 401 (-4.0A)
FAD  A 401 (-3.7A)
None
None
 1.07A 3v8vA-5jzxA:
undetectable		 3v8vA-5jzxA:
21.99
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.
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
 1.19A 3v8vA-5kh0A:
3.3		 3v8vA-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.
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
 1.15A 3v8vA-5odrB:
undetectable		 3v8vA-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.
5ow6 VP1

(Cucumber mosaic
virus) 		PF00760
(Cucumo_coat) 		5 GLY A  87
SER A 135
VAL A 121
PRO A  77
LEU A 199
 None
 1.18A 3v8vA-5ow6A:
undetectable		 3v8vA-5ow6A:
12.90
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.
5t9c GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF03009
(GDPD) 		5 GLY E 233
THR E 207
VAL E 275
PRO E 236
LEU E 241
 None
 1.17A 3v8vA-5t9cE:
undetectable		 3v8vA-5t9cE:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE

(Bacillus
licheniformis) 		no annotation 5 ILE A  87
THR A 224
ASN A  78
PRO A  82
LEU A 183
 ILE  A  87 ( 0.6A)
THR  A 224 ( 0.8A)
ASN  A  78 ( 0.6A)
PRO  A  82 ( 1.1A)
LEU  A 183 ( 0.6A)
 1.20A 3v8vA-5xluA:
undetectable		 3v8vA-5xluA:
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 GLY A  61
THR A 224
VAL A  11
PRO A  57
LEU A  86
 None
 1.13A 3v8vA-5xmdA:
undetectable		 3v8vA-5xmdA:
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.
6al5 B-LYMPHOCYTE ANTIGEN
CD19

(Homo sapiens) 		no annotation 5 PRO A 102
SER A 224
THR A 215
VAL A 241
LEU A  62
 None
 1.18A 3v8vA-6al5A:
undetectable		 3v8vA-6al5A:
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A  19
SER A  20
VAL A 121
ASN A 250
LEU A 142
 None
 1.10A 3v8vA-6bn2A:
undetectable		 3v8vA-6bn2A:
undetectable