SIMILAR PATTERNS OF AMINO ACIDS FOR 4DF3_B_SAMB301

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.
1ak6 DESTRIN

(Homo sapiens;
Sus scrofa) 		PF00241
(Cofilin_ADF) 		5 GLY A   4
ALA A   2
ALA A 118
ALA A 123
VAL A   5
 None
 1.23A 4df3B-1ak6A:
undetectable		 4df3B-1ak6A:
23.50
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 246
THR A  93
ALA A 252
VAL A  76
ALA A 320
 None
 1.24A 4df3B-1bucA:
undetectable		 4df3B-1bucA:
22.39
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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 346
ALA A 344
ALA A 194
ASP A 188
VAL A 349
 None
 1.00A 4df3B-1bvuA:
4.0		 4df3B-1bvuA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 ALA A  76
PHE A 142
VAL A 107
ASP A 141
ALA A 140
 None
 1.47A 4df3B-1evqA:
undetectable		 4df3B-1evqA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 LYS A  58
ALA A  83
ALA A 107
ASP A 130
ALA A 131
 None
 1.35A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
ALA A 107
ASP A 130
ALA A 131
ASP A 150
 None
 0.72A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		6 LYS A  58
GLY A  82
THR A  87
ALA A 131
ASP A 150
VAL A 151
 None
 0.70A 4df3B-1fbnA:
31.4		 4df3B-1fbnA:
48.07
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 ALA A 287
ALA A 295
VAL A 290
ALA A 300
ASP A 389
 None
 1.23A 4df3B-1i7oA:
undetectable		 4df3B-1i7oA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT
GLYCEROL DEHYDRATASE
GAMMA SUBUNIT

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU)
PF02287
(Dehydratase_SU) 		5 GLY A 292
ALA G  68
ALA G  61
VAL A 293
GLN A 294
 None
 1.29A 4df3B-1iwpA:
undetectable		 4df3B-1iwpA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2

(Cricetulus
griseus) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 365
ALA A 363
THR A 383
ALA A 346
VAL A 347
 IMP  A1331 ( 3.9A)
None
None
None
None
 1.37A 4df3B-1jr1A:
undetectable		 4df3B-1jr1A:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  67
THR A  70
ASP A 113
ALA A 114
ASP A 133
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.54A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  67
THR A  70
ASP A 113
ALA A 114
GLN A 136
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
 0.74A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 LYS A  42
GLY A  65
ALA A  67
ASP A 113
ALA A 114
ASP A 133
 SAM  A 301 (-3.0A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
 0.61A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 634
ALA A 484
THR A 466
ALA A 534
ALA A 636
 None
 1.27A 4df3B-1q3xA:
undetectable		 4df3B-1q3xA:
22.09
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.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 ALA A  81
ALA A 104
ALA A  23
VAL A  19
GLN A 301
 None
 1.33A 4df3B-1sc6A:
6.8		 4df3B-1sc6A:
20.49
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.
1vpk DNA POLYMERASE III,
BETA SUBUNIT

(Thermotoga
maritima) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A  55
PHE A  33
ALA A  46
VAL A  53
ASP A  12
 None
 1.29A 4df3B-1vpkA:
undetectable		 4df3B-1vpkA:
20.53
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A  81
ALA A 128
VAL A  99
ALA A 132
VAL A 142
 None
 1.32A 4df3B-1xfjA:
undetectable		 4df3B-1xfjA:
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 GLY B 345
ALA B 343
VAL B  63
ALA B 330
VAL B 348
 None
 1.38A 4df3B-1y56B:
2.6		 4df3B-1y56B:
20.21
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.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A  38
THR A  95
ALA A 114
VAL A 117
VAL A  37
 None
 1.50A 4df3B-2bccA:
undetectable		 4df3B-2bccA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A  26
THR A  53
ALA A 212
ALA A 178
VAL A  47
 FAD  A1001 (-3.8A)
None
None
FAD  A1001 (-3.5A)
None
 1.08A 4df3B-2h88A:
undetectable		 4df3B-2h88A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 ALA A 170
THR A 174
PHE A 193
ASP A 217
GLN A 240
 MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.27A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		9 GLY A 168
ALA A 170
THR A 173
PHE A 193
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.5A)
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.1A)
MTA  A4001 (-4.0A)
 0.52A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA A 302
ALA A 258
VAL A 304
ALA A 188
VAL A 174
 None
 1.04A 4df3B-2okcA:
10.7		 4df3B-2okcA:
18.61
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLY A  62
ALA A 274
THR A 312
PHE A 287
ASP A  70
 None
 1.46A 4df3B-2p50A:
undetectable		 4df3B-2p50A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  15
VAL A  96
ASP A  53
ALA A  52
VAL A  24
 None
 1.31A 4df3B-2q1yA:
3.8		 4df3B-2q1yA:
21.66
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 100
ALA A 104
VAL A 149
VAL A  99
GLN A 109
 None
 1.38A 4df3B-2qzwA:
undetectable		 4df3B-2qzwA:
20.99
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.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 GLY A  94
ALA A 185
VAL A 223
ALA A 219
VAL A 121
 GLY  A  94 ( 0.0A)
ALA  A 185 ( 0.0A)
VAL  A 223 ( 0.6A)
ALA  A 219 ( 0.0A)
VAL  A 121 ( 0.6A)
 0.96A 4df3B-2rciA:
undetectable		 4df3B-2rciA:
22.09
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 THR A 182
PHE A  25
VAL A   5
ALA A  22
VAL A 215
 DGL  A1256 (-3.1A)
None
None
None
None
 1.10A 4df3B-2w4iA:
2.0		 4df3B-2w4iA:
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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 137
ALA A 282
THR A 112
ALA A  59
VAL A 136
 None
 1.15A 4df3B-2x3eA:
undetectable		 4df3B-2x3eA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 GLY A  17
ALA A  21
ALA A 316
ASP A 311
ALA A 308
 None
None
None
None
FAD  A1371 (-3.6A)
 1.22A 4df3B-2x3nA:
4.9		 4df3B-2x3nA:
20.79
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 219
ALA A 222
ASP A 215
ALA A 212
ASP A 100
 None
 0.98A 4df3B-3afeA:
undetectable		 4df3B-3afeA:
19.90
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY B 432
ALA B 257
ASP B 337
ALA B 336
VAL B 430
 None
 1.10A 4df3B-3amjB:
undetectable		 4df3B-3amjB:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 211
ALA A  43
THR A  22
VAL A  48
ALA A 182
 None
None
None
None
NAD  A 500 (-4.0A)
 1.44A 4df3B-3b4wA:
3.7		 4df3B-3b4wA:
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.
3ctm CARBONYL REDUCTASE

(Candida
parapsilosis) 		PF13561
(adh_short_C2) 		5 GLY A  58
ALA A  55
THR A  80
ALA A  37
VAL A  61
 None
 0.99A 4df3B-3ctmA:
7.3		 4df3B-3ctmA:
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.
3gbp GALACTOSE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		5 LYS A 125
GLY A 297
ALA A 237
ASP A 299
VAL A 298
 None
 1.43A 4df3B-3gbpA:
4.4		 4df3B-3gbpA:
23.05
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
THR A  99
ALA A 145
ASP A 163
VAL A 164
 None
 0.70A 4df3B-3gjyA:
12.2		 4df3B-3gjyA:
25.23
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
THR A  99
ASP A 144
ALA A 145
ASP A 163
 None
 0.85A 4df3B-3gjyA:
12.2		 4df3B-3gjyA:
25.23
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 GLY A  44
THR A 138
ALA A  58
VAL A  97
VAL A  61
 None
 1.32A 4df3B-3gocA:
undetectable		 4df3B-3gocA:
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		5 GLY A  98
ALA A 102
ALA A 152
VAL A 153
ALA A 145
 None
None
None
GOL  A 342 (-4.5A)
None
 1.29A 4df3B-3gs6A:
undetectable		 4df3B-3gs6A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 GLY X 781
ALA X 694
ALA X 697
VAL X 751
ASP X1007
 None
 1.42A 4df3B-3lxuX:
2.6		 4df3B-3lxuX:
11.82
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 GLY A 276
ALA A 279
ALA A 249
VAL A 282
ALA A 256
 None
 0.95A 4df3B-3q1yA:
3.8		 4df3B-3q1yA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 GLY A 164
THR A  99
ALA A 135
VAL A 118
ALA A 169
 None
 1.26A 4df3B-3qh4A:
undetectable		 4df3B-3qh4A:
20.50
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.
3rnr STAGE II SPORULATION
E FAMILY PROTEIN

(Thermanaerovibrio
acidaminovorans) 		PF07228
(SpoIIE) 		5 ALA A 174
THR A 202
ALA A 176
VAL A   1
ALA A 183
 None
 1.44A 4df3B-3rnrA:
undetectable		 4df3B-3rnrA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 ALA A 362
ALA A  62
VAL A  17
ASP A 106
ALA A 105
 None
 1.39A 4df3B-3s2jA:
undetectable		 4df3B-3s2jA:
22.00
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		5 PHE A 130
ALA A 135
VAL A 140
ALA A 129
ASP A 230
 None
 1.47A 4df3B-3tdwA:
undetectable		 4df3B-3tdwA:
21.05
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.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni) 		PF01177
(Asp_Glu_race) 		5 THR A 181
PHE A  25
VAL A   5
ALA A  22
VAL A 208
 DGL  A 260 (-3.0A)
None
None
None
None
 1.12A 4df3B-3uhoA:
2.5		 4df3B-3uhoA:
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  47
ALA A 359
ALA A 357
VAL A 292
ASP A  39
 None
 1.50A 4df3B-3wy7A:
2.3		 4df3B-3wy7A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlb PHOSPHOGLYCERATE
KINASE

(Streptococcus
pneumoniae) 		PF00162
(PGK) 		5 ALA A 394
THR A 396
ALA A 158
VAL A 163
VAL A 388
 None
 1.47A 4df3B-3zlbA:
4.3		 4df3B-3zlbA:
21.70
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.
3zle APICAL MEMBRANE
ANTIGEN 1

(Toxoplasma
gondii) 		PF02430
(AMA-1) 		5 ALA A 358
PHE A 352
ALA A 429
ASP A 360
VAL A 125
 None
 1.11A 4df3B-3zleA:
undetectable		 4df3B-3zleA:
19.90
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.
4ab5 TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF03466
(LysR_substrate) 		5 GLY A 171
ALA A 241
THR A 197
VAL A 234
VAL A 170
 None
 1.45A 4df3B-4ab5A:
undetectable		 4df3B-4ab5A:
24.21
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 163
ALA A 161
ALA A  50
VAL A 456
VAL A  44
 None
 1.18A 4df3B-4autA:
undetectable		 4df3B-4autA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ASP E 130
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
G  A  24 ( 3.0A)
 0.78A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 None
C  X   5 ( 2.4A)
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.75A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
THR E  86
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 None
A  X   7 ( 3.5A)
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.70A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		7 LYS E  57
GLY E  81
ASP E 130
ALA E 131
ASP E 150
VAL E 151
GLN E 153
 C  X   5 ( 2.7A)
None
None
None
C  X   5 ( 3.2A)
None
G  A  24 ( 3.0A)
 1.08A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 LYS E  57
GLY E  81
VAL E 110
ALA E 131
VAL E 151
GLN E 153
 C  X   5 ( 2.7A)
None
G  A  21 ( 4.3A)
None
None
G  A  24 ( 3.0A)
 0.87A 4df3B-4by9E:
29.6		 4df3B-4by9E:
54.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		5 ALA A  87
THR A  91
PHE A 110
ASP A 134
GLN A 157
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.8A)
 1.29A 4df3B-4df3A:
42.0		 4df3B-4df3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		12 LYS A  61
GLY A  85
ALA A  87
THR A  90
PHE A 110
ALA A 111
VAL A 114
ASP A 134
ALA A 135
ASP A 154
VAL A 155
GLN A 157
 SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 3.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.8A)
 0.15A 4df3B-4df3A:
42.0		 4df3B-4df3A:
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C)
PF08676
(MutL_C) 		5 GLY B 678
THR B 831
VAL B 700
ALA A 550
VAL B 677
 None
 1.42A 4df3B-4e4wB:
undetectable		 4df3B-4e4wB:
22.90
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ALA A 277
ALA A 180
VAL A 153
ASP A 233
ALA A 234
 None
 1.39A 4df3B-4e84A:
4.5		 4df3B-4e84A:
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.
4gci GLUTATHIONE
S-TRANSFERASE

(Yersinia pestis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A  67
ALA A 157
VAL A  18
ALA A 103
VAL A  68
 GSH  A 302 (-4.0A)
None
None
None
None
 1.25A 4df3B-4gciA:
undetectable		 4df3B-4gciA:
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A  70
ALA A  72
VAL A  75
ALA A 144
ASP A  68
 None
 1.14A 4df3B-4hdsA:
undetectable		 4df3B-4hdsA:
22.68
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.
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		5 LYS A  31
GLY A  83
ASP A  81
VAL A  78
GLN A  79
 None
 1.34A 4df3B-4iinA:
9.3		 4df3B-4iinA:
24.75
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.
4kcb ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		5 GLY A 287
THR A 200
ALA A 265
VAL A 249
ASP A 283
 None
 1.44A 4df3B-4kcbA:
undetectable		 4df3B-4kcbA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 290
ALA A 220
VAL A 294
ALA A 212
GLN A 271
 None
 1.18A 4df3B-4kkmA:
undetectable		 4df3B-4kkmA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 130
ALA A 127
ALA A 100
VAL A 143
ALA A 134
 None
 1.21A 4df3B-4p52A:
undetectable		 4df3B-4p52A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 GLY A 258
THR A 181
VAL A 320
VAL A 261
GLN A 264
 None
 1.29A 4df3B-5ah0A:
undetectable		 4df3B-5ah0A:
20.94
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.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 GLY B  14
THR B  18
ASP B  73
VAL B  38
GLN B  36
 None
NAP  B 401 (-3.5A)
None
None
None
 1.40A 4df3B-5b3vB:
7.0		 4df3B-5b3vB:
23.33
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 GLY A 228
ALA A 378
VAL A 221
VAL A 231
GLN A 234
 ANP  A 601 (-3.2A)
None
None
ANP  A 601 (-4.1A)
None
 1.38A 4df3B-5bn4A:
2.0		 4df3B-5bn4A:
19.96
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ALA A 267
ALA A 723
VAL A 714
VAL A 247
GLN A 238
 None
 1.26A 4df3B-5c9iA:
undetectable		 4df3B-5c9iA:
14.62
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 ALA A 154
ALA A  74
VAL A  50
ASP A  65
ALA A  62
 None
 1.16A 4df3B-5ghaA:
3.7		 4df3B-5ghaA:
26.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		7 GLY E  84
ALA E  86
PHE E 109
ASP E 133
ALA E 134
ASP E 153
GLN E 156
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.52A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		8 GLY E  84
ALA E  86
THR E  89
PHE E 109
VAL E 113
ASP E 133
ALA E 134
ASP E 153
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
A  I   6 ( 3.5A)
SAH  E 301 (-3.6A)
None
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
 0.37A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		7 LYS E  60
GLY E  84
ALA E  86
THR E  89
VAL E 113
ALA E 134
ASP E 153
 U  I   4 ( 3.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
A  I   6 ( 3.5A)
None
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
 0.53A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 GLY A 475
ALA A  10
ALA A 216
ASP A 499
ALA A 494
 None
 1.20A 4df3B-5ikzA:
undetectable		 4df3B-5ikzA:
12.81
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY L 166
ALA L 170
ALA L 463
ASP L 458
ALA L 455
 None
None
None
None
FAD  L 503 (-3.5A)
 1.29A 4df3B-5jfcL:
4.3		 4df3B-5jfcL:
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.
5jo9 RIBITOL
2-DEHYDROGENASE

(Bradyrhizobium
japonicum) 		PF00106
(adh_short) 		5 GLY A  18
ALA A 211
ALA A 215
VAL A 214
ALA A  15
 PO4  A 301 (-3.4A)
None
None
None
None
 1.43A 4df3B-5jo9A:
8.9		 4df3B-5jo9A:
23.90
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.
5kws GALACTOSE-BINDING
PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 LYS A 125
GLY A 297
ALA A 237
ASP A 299
VAL A 298
 None
 1.43A 4df3B-5kwsA:
undetectable		 4df3B-5kwsA:
21.74
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 GLY A1670
ALA A1662
VAL A1656
ALA A1625
VAL A1669
 None
 1.15A 4df3B-5m59A:
2.2		 4df3B-5m59A:
9.27
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.
5mzy GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT A

(Myxococcus
xanthus) 		PF01144
(CoA_trans) 		5 GLY A 173
ALA A 169
ALA A 195
VAL A 197
ASP A 215
 None
 1.45A 4df3B-5mzyA:
undetectable		 4df3B-5mzyA:
23.26
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 GLY A  19
ALA A  23
ALA A 335
ASP A 330
ALA A 327
 None
None
None
None
FAD  A 501 (-3.6A)
 1.28A 4df3B-5nagA:
2.6		 4df3B-5nagA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o5c PUTATIVE
DECARBOXYLASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 5 ALA A 263
VAL A 207
ASP A 320
ALA A 319
ASP A 277
 None
 1.48A 4df3B-5o5cA:
undetectable		 4df3B-5o5cA:
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6

(Homo sapiens) 		PF01399
(PCI)
PF10602
(RPN7) 		5 THR Y 218
ALA Y 190
ASP Y 193
ALA Y 197
VAL Y 226
 None
 1.47A 4df3B-5vhiY:
undetectable		 4df3B-5vhiY:
19.95
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		5 GLY A 176
THR A 149
ALA A 203
ALA A  29
VAL A 333
 None
 1.20A 4df3B-5vprA:
2.6		 4df3B-5vprA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
ALA A  64
ASP A 113
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.50A 4df3B-5zw4A:
16.2		 4df3B-5zw4A:
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 THR A 250
PHE A 393
VAL A  20
ALA A 392
GLN A 310
 None
MAL  A 501 (-4.6A)
None
None
MAL  A 501 (-4.1A)
 1.09A 4df3B-6bvgA:
undetectable		 4df3B-6bvgA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 540
ALA B 100
ASP B 471
ASP B 539
VAL B 536
 None
 1.05A 4df3B-6f0kB:
undetectable		 4df3B-6f0kB:
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.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 TYR A 280
THR A 289
GLU A 310
 None
 0.82A 4df3B-1ez4A:
0.2		 4df3B-1ez4A:
22.05
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 TYR A 120
THR A  33
GLU A 118
 RTL  A 401 ( 4.5A)
None
None
 0.76A 4df3B-1fmlA:
0.7		 4df3B-1fmlA:
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.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		3 TYR A 251
THR A 229
GLU A 236
 None
 0.69A 4df3B-1ltdA:
0.1		 4df3B-1ltdA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lyw CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		3 TYR B 330
THR B 186
GLU B 180
 None
 0.82A 4df3B-1lywB:
undetectable		 4df3B-1lywB:
21.30
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.
1nf2 PHOSPHATASE

(Thermotoga
maritima) 		PF08282
(Hydrolase_3) 		3 TYR A  71
THR A  59
GLU A  75
 None
 0.83A 4df3B-1nf2A:
3.8		 4df3B-1nf2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 149
THR A 174
GLU A 147
 None
 0.68A 4df3B-1nowA:
0.8		 4df3B-1nowA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		3 TYR A  63
THR A  71
GLU A  88
 None
SAM  A 301 (-4.1A)
SAM  A 301 (-2.4A)
 0.33A 4df3B-1nt2A:
26.3		 4df3B-1nt2A:
44.21
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  63
THR A 125
GLU A  89
 None
SO4  A 301 (-3.1A)
None
 0.67A 4df3B-1oypA:
0.0		 4df3B-1oypA:
22.74
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.
1qcw FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF01070
(FMN_dh) 		3 TYR A 251
THR A 229
GLU A 236
 None
 0.81A 4df3B-1qcwA:
0.3		 4df3B-1qcwA:
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.
1qqf PROTEIN (COMPLEMENT
C3DG)

(Rattus
norvegicus) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		3 TYR A1081
THR A1019
GLU A1153
 None
 0.76A 4df3B-1qqfA:
undetectable		 4df3B-1qqfA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  64
THR A 126
GLU A  90
 None
PO4  A 242 (-2.8A)
None
 0.81A 4df3B-1r6mA:
undetectable		 4df3B-1r6mA:
23.55
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.
1sur PAPS REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		3 TYR A 130
THR A  78
GLU A 113
 None
 0.71A 4df3B-1surA:
undetectable		 4df3B-1surA:
21.93
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		3 TYR A  34
THR A 146
GLU A 279
 None
 0.55A 4df3B-1szqA:
undetectable		 4df3B-1szqA:
19.35
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		3 TYR A 300
THR A 295
GLU A 319
 None
 0.80A 4df3B-1t47A:
undetectable		 4df3B-1t47A:
20.58
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 TYR A 352
THR A 324
GLU A 359
 None
 0.76A 4df3B-1ukwA:
undetectable		 4df3B-1ukwA:
19.58
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		3 TYR A 228
THR A 146
GLU A 152
 None
 0.78A 4df3B-1xa6A:
undetectable		 4df3B-1xa6A:
19.65
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.
1ygh PROTEIN
(TRANSCRIPTIONAL
ACTIVATOR GCN5)

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		3 TYR A 141
THR A 118
GLU A 134
 None
 0.73A 4df3B-1yghA:
undetectable		 4df3B-1yghA:
24.14
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		3 TYR A 525
THR A 534
GLU A 530
 None
 0.73A 4df3B-1yiqA:
undetectable		 4df3B-1yiqA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		3 TYR A 297
THR A 249
GLU A 257
 None
 0.80A 4df3B-2bwgA:
undetectable		 4df3B-2bwgA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 116
THR A 141
GLU A 114
 None
 0.70A 4df3B-2gjxA:
undetectable		 4df3B-2gjxA:
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 3 TYR I 116
THR I 141
GLU I 114
 None
 0.74A 4df3B-2gk1I:
undetectable		 4df3B-2gk1I:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 3 TYR M 149
THR M 174
GLU M 147
 None
 0.71A 4df3B-2gk1M:
undetectable		 4df3B-2gk1M:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		3 TYR A  89
THR A 109
GLU A 142
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.2A)
 0.66A 4df3B-2i4nA:
undetectable		 4df3B-2i4nA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		3 TYR A 166
THR A 174
GLU A 192
 None
None
MTA  A4001 (-2.7A)
 0.33A 4df3B-2ipxA:
28.1		 4df3B-2ipxA:
45.57
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.
2lul TYROSINE-PROTEIN
KINASE TEC

(Homo sapiens) 		PF00169
(PH)
PF00779
(BTK) 		3 TYR A  51
THR A  49
GLU A  18
 None
 0.80A 4df3B-2lulA:
undetectable		 4df3B-2lulA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mii PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOB

(Escherichia
coli) 		PF13036
(LpoB) 		3 TYR A 159
THR A  82
GLU A 185
 None
 0.82A 4df3B-2miiA:
undetectable		 4df3B-2miiA:
18.78
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.
2mnj TPR
REPEAT-CONTAINING
PROTEIN ASSOCIATED
WITH HSP90
PROTEIN INTERACTING
WITH HSP90 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		3 TYR B 108
THR B 106
GLU A  15
 None
 0.78A 4df3B-2mnjB:
undetectable		 4df3B-2mnjB:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8v PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		3 TYR A 131
THR A  79
GLU A 114
 None
 0.77A 4df3B-2o8vA:
undetectable		 4df3B-2o8vA:
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.
2op7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP1

(Homo sapiens) 		PF00397
(WW) 		3 TYR A  20
THR A  14
GLU A  10
 None
 0.28A 4df3B-2op7A:
undetectable		 4df3B-2op7A:
12.82
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.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  79
THR A 136
GLU A 100
 None
UDP  A 250 (-2.8A)
None
 0.70A 4df3B-2pnzA:
undetectable		 4df3B-2pnzA:
23.10
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.
2pvq GLUTATHIONE
S-TRANSFERASE

(Ochrobactrum
anthropi) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 TYR A   4
THR A  37
GLU A  26
 None
 0.84A 4df3B-2pvqA:
undetectable		 4df3B-2pvqA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2e TYPE II DNA
TOPOISOMERASE VI
SUBUNIT A

(Methanosarcina
mazei) 		PF04406
(TP6A_N) 		3 TYR A  28
THR A  82
GLU A  91
 None
 0.62A 4df3B-2q2eA:
undetectable		 4df3B-2q2eA:
24.74
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		3 TYR A 274
THR A 312
GLU A 340
 None
 0.66A 4df3B-2qs8A:
undetectable		 4df3B-2qs8A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz9 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 TYR A  48
THR A  14
GLU A  23
 None
 0.79A 4df3B-2qz9A:
undetectable		 4df3B-2qz9A:
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR B  79
THR B 136
GLU B 100
 None
PO4  B1237 (-2.8A)
None
 0.74A 4df3B-2wnrB:
undetectable		 4df3B-2wnrB:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		3 TYR A 116
THR A 469
GLU A 450
 None
 0.79A 4df3B-2xdrA:
3.8		 4df3B-2xdrA:
20.84
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		3 TYR A 170
THR A 125
GLU A 133
 None
 0.69A 4df3B-2xvxA:
undetectable		 4df3B-2xvxA:
20.94
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		3 TYR A 351
THR A 374
GLU A 302
 None
 0.67A 4df3B-3b2dA:
undetectable		 4df3B-3b2dA:
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  64
THR A 126
GLU A  90
 None
PO4  A 260 ( 2.8A)
None
 0.62A 4df3B-3b4tA:
undetectable		 4df3B-3b4tA:
24.61
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.
3c5m OLIGOGALACTURONATE
LYASE

(Vibrio
parahaemolyticus) 		PF14583
(Pectate_lyase22) 		3 TYR A  39
THR A 129
GLU A 243
 None
 0.58A 4df3B-3c5mA:
undetectable		 4df3B-3c5mA:
21.50
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.
3edv SPECTRIN BETA CHAIN,
BRAIN 1

(Homo sapiens) 		PF00435
(Spectrin) 		3 TYR A1983
THR A1910
GLU A1987
 None
 0.61A 4df3B-3edvA:
undetectable		 4df3B-3edvA:
23.44
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.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		3 TYR A1344
THR A1310
GLU A1364
 None
 0.64A 4df3B-3eujA:
undetectable		 4df3B-3eujA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3flt SAP-LIKE PENTRAXIN

(Limulus
polyphemus) 		PF00354
(Pentaxin) 		3 TYR A  49
THR A  47
GLU A 154
 OPE  A 400 (-4.6A)
None
CA  A 303 (-2.7A)
 0.74A 4df3B-3fltA:
undetectable		 4df3B-3fltA:
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.
3j0c E1 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF01589
(Alpha_E1_glycop) 		3 TYR A  51
THR A 217
GLU A 241
 None
 0.77A 4df3B-3j0cA:
undetectable		 4df3B-3j0cA:
20.14
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		3 TYR A 115
THR A 193
GLU A 178
 None
 0.83A 4df3B-3ldfA:
13.3		 4df3B-3ldfA:
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 TYR A 103
THR A 110
GLU A   3
 None
 0.80A 4df3B-3mruA:
undetectable		 4df3B-3mruA:
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.
3mzk PROTEIN TRANSPORT
PROTEIN SEC16

(Saccharomyces
cerevisiae) 		PF12931
(Sec16_C)
PF12932
(Sec16) 		3 TYR B1006
THR B1030
GLU B1026
 None
 0.66A 4df3B-3mzkB:
undetectable		 4df3B-3mzkB:
17.98
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.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		3 TYR A  80
THR A  27
GLU A  87
 None
 0.76A 4df3B-3oixA:
undetectable		 4df3B-3oixA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		3 TYR A  39
THR A 129
GLU A 243
 None
 0.61A 4df3B-3pe7A:
undetectable		 4df3B-3pe7A:
22.28
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		3 TYR A 146
THR A 200
GLU A 320
 None
 0.74A 4df3B-3pt1A:
3.3		 4df3B-3pt1A:
18.51
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		3 TYR A 284
THR A 356
GLU A 365
 None
 0.78A 4df3B-3sdoA:
undetectable		 4df3B-3sdoA:
20.93
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A 101
THR A 126
GLU A  99
 None
 0.70A 4df3B-3sutA:
undetectable		 4df3B-3sutA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 183
THR A 207
GLU A 219
 None
 0.83A 4df3B-3uc3A:
undetectable		 4df3B-3uc3A:
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 182
THR A 206
GLU A 218
 None
 0.75A 4df3B-3udbA:
undetectable		 4df3B-3udbA:
22.42
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 182
THR A 206
GLU A 218
 None
 0.73A 4df3B-3ujgA:
undetectable		 4df3B-3ujgA:
20.49
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		3 TYR A 169
THR A 167
GLU A 187
 None
 0.80A 4df3B-3v9fA:
undetectable		 4df3B-3v9fA:
15.06
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		3 TYR B  40
THR B  38
GLU B 132
 None
 0.79A 4df3B-3vrdB:
undetectable		 4df3B-3vrdB:
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		3 TYR A 118
THR A 195
GLU A 180
 None
 0.77A 4df3B-3vseA:
14.3		 4df3B-3vseA:
20.72
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 151
THR A 181
GLU A 149
 None
 0.75A 4df3B-3vtrA:
undetectable		 4df3B-3vtrA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		3 TYR A 277
THR A 260
GLU A 234
 None
None
CA  A 501 (-2.2A)
 0.80A 4df3B-3wc3A:
undetectable		 4df3B-3wc3A:
19.46
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		3 TYR A 291
THR A 286
GLU A 310
 None
 0.79A 4df3B-3zgjA:
undetectable		 4df3B-3zgjA:
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.
3zh2 L-LACTATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 TYR A 268
THR A 277
GLU A 298
 None
 0.49A 4df3B-3zh2A:
5.3		 4df3B-3zh2A:
21.30
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		3 TYR A 544
THR A 497
GLU A 182
 None
None
EDO  A1621 (-4.8A)
 0.77A 4df3B-4az7A:
undetectable		 4df3B-4az7A:
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A  82
THR A 107
GLU A  80
 None
 0.83A 4df3B-4c7gA:
undetectable		 4df3B-4c7gA:
21.24
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.
4d61 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
GTP-BINDING SUBUNIT
ERF3A

(Homo sapiens) 		PF01201
(Ribosomal_S8e) 		3 TYR i 251
THR i 258
GLU i 244
 None
 0.82A 4df3B-4d61i:
undetectable		 4df3B-4d61i:
21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		3 TYR A  83
THR A  91
GLU A 109
 SAM  A 301 (-4.5A)
SAM  A 301 (-3.3A)
SAM  A 301 (-2.9A)
 0.09A 4df3B-4df3A:
42.0		 4df3B-4df3A:
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.
4euf PUTATIVE REDUCTASE
CA_C0462

(Clostridium
acetobutylicum) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		3 TYR A  74
THR A  76
GLU A 110
 None
 0.83A 4df3B-4eufA:
7.9		 4df3B-4eufA:
19.91
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		3 TYR B 675
THR B 654
GLU B 659
 None
 0.82A 4df3B-4f92B:
2.3		 4df3B-4f92B:
8.91
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		3 TYR C 634
THR C 632
GLU C 619
 None
 0.76A 4df3B-4oqaC:
undetectable		 4df3B-4oqaC:
17.68
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.
4p3y THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Acinetobacter
baumannii) 		PF01323
(DSBA) 		3 TYR B  76
THR B  60
GLU B  69
 None
 0.73A 4df3B-4p3yB:
undetectable		 4df3B-4p3yB:
19.83
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 TYR A 123
THR A 133
GLU A 110
 None
 0.77A 4df3B-4rl6A:
6.9		 4df3B-4rl6A:
20.80
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.
4rth MEMBRANE-EXTRINSIC
PROTEIN OF
PHOTOSYSTEM II PSBP

(Zea mays) 		PF01789
(PsbP) 		3 TYR A 127
THR A  72
GLU A  78
 None
 0.71A 4df3B-4rthA:
undetectable		 4df3B-4rthA:
20.92
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.
4rti OXYGEN-EVOLVING
ENHANCER PROTEIN 2,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01789
(PsbP) 		3 TYR A 127
THR A  72
GLU A  78
 None
 0.83A 4df3B-4rtiA:
undetectable		 4df3B-4rtiA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trt DNA POLYMERASE III
SUBUNIT BETA

(Deinococcus
radiodurans) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		3 TYR A 115
THR A  48
GLU A  37
 None
 0.82A 4df3B-4trtA:
undetectable		 4df3B-4trtA:
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		3 TYR A 224
THR A 413
GLU A 675
 None
 0.60A 4df3B-4xprA:
undetectable		 4df3B-4xprA:
15.83
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 TYR C   9
THR C  16
GLU C 127
 None
 0.80A 4df3B-4z42C:
undetectable		 4df3B-4z42C:
18.32
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		3 TYR A 133
THR A 158
GLU A 131
 None
 0.78A 4df3B-4zxlA:
undetectable		 4df3B-4zxlA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 3 TYR A 235
THR A 251
GLU A 262
 None
 0.52A 4df3B-5a0kA:
undetectable		 4df3B-5a0kA:
21.49
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		3 TYR A 650
THR A 242
GLU A 488
 None
 0.77A 4df3B-5btrA:
5.6		 4df3B-5btrA:
20.75
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		3 TYR A 226
THR A 204
GLU A 215
 NAP  A 301 (-3.9A)
NAP  A 301 (-4.4A)
None
 0.78A 4df3B-5danA:
undetectable		 4df3B-5danA:
23.47
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		3 TYR A1009
THR A1102
GLU A1150
 None
 0.69A 4df3B-5dczA:
undetectable		 4df3B-5dczA:
20.47
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 3 TYR A 448
THR A 441
GLU A 511
 None
 0.79A 4df3B-5f75A:
undetectable		 4df3B-5f75A:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		3 TYR E  82
THR E  90
GLU E 108
 SAH  E 301 (-4.9A)
SAH  E 301 (-3.2A)
SAH  E 301 (-3.0A)
 0.39A 4df3B-5ginE:
33.6		 4df3B-5ginE:
53.22
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TYR B1243
THR B1198
GLU B1206
 None
 0.79A 4df3B-5gztB:
undetectable		 4df3B-5gztB:
12.23
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.
5hop LMO0182 PROTEIN

(Listeria
monocytogenes) 		no annotation 3 TYR A  54
THR A 103
GLU A  60
 None
 0.81A 4df3B-5hopA:
undetectable		 4df3B-5hopA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jen ANTI-SIGMA-V FACTOR
RSIV

(Bacillus
subtilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		3 TYR A 241
THR A 243
GLU A 147
 None
 0.78A 4df3B-5jenA:
undetectable		 4df3B-5jenA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE

(Synechocystis
sp. PCC 6803) 		no annotation 3 TYR A 509
THR A 543
GLU A 513
 NA  A 703 ( 4.3A)
CYC  A 701 ( 4.0A)
None
 0.77A 4df3B-5m85A:
undetectable		 4df3B-5m85A:
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 3 TYR B 128
THR B 155
GLU B 126
 None
 0.69A 4df3B-5oarB:
undetectable		 4df3B-5oarB:
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 3 TYR D 422
THR D 368
GLU D 481
 None
 0.81A 4df3B-5t4yD:
undetectable		 4df3B-5t4yD:
12.54
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.
5ulj RAI1

(Scheffersomyces
stipitis) 		PF08652
(RAI1) 		3 TYR A 119
THR A 328
GLU A 266
 None
 0.55A 4df3B-5uljA:
undetectable		 4df3B-5uljA:
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.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 TYR A 306
THR A 272
GLU A 355
 None
 0.70A 4df3B-5vocA:
undetectable		 4df3B-5vocA:
14.44
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.
5wax -

(-) 		no annotation 3 TYR A 174
THR A 198
GLU A 210
 None
 0.66A 4df3B-5waxA:
undetectable		 4df3B-5waxA:
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.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 3 TYR A 231
THR A 265
GLU A 270
 None
 0.74A 4df3B-5wjcA:
undetectable		 4df3B-5wjcA:
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.
5wqw N-ACETYLGLUCOSAMINID
ASE

(Clostridium
perfringens) 		PF01832
(Glucosaminidase) 		3 TYR A1018
THR A1016
GLU A1053
 None
 0.78A 4df3B-5wqwA:
undetectable		 4df3B-5wqwA:
21.25
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.
5xnl OXYGEN-EVOLVING
ENHANCER PROTEIN 2,
CHLOROPLASTIC

(Pisum sativum) 		PF01789
(PsbP) 		3 TYR P 127
THR P  72
GLU P  78
 None
 0.84A 4df3B-5xnlP:
undetectable		 4df3B-5xnlP:
23.05
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		3 TYR L  88
THR L 103
GLU L  99
 G  2 239 ( 4.4A)
U  2 238 ( 2.8A)
None
 0.66A 4df3B-5xyiL:
undetectable		 4df3B-5xyiL:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azt ASPARAGINYL
ENDOPEPTIDASE 1

(Helianthus
annuus) 		no annotation 3 TYR A 237
THR A 239
GLU A 232
 None
 0.81A 4df3B-6aztA:
undetectable		 4df3B-6aztA:
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 3 TYR A 781
THR A 767
GLU A 775
 None
 0.81A 4df3B-6eoqA:
undetectable		 4df3B-6eoqA:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE
CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii;
Acetobacterium
woodii) 		no annotation
no annotation 		3 TYR B 165
THR A 266
GLU A 262
 None
 0.81A 4df3B-6fahB:
undetectable		 4df3B-6fahB:
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.
6g6s APOPTOTIC CHROMATIN
CONDENSATION INDUCER
IN THE NUCLEUS

(Homo sapiens) 		no annotation 3 TYR A1056
THR A1035
GLU A1040
 None
 0.74A 4df3B-6g6sA:
undetectable		 4df3B-6g6sA:
undetectable