SIMILAR PATTERNS OF AMINO ACIDS FOR 3D91_A_REMA350

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus)
PF00026
(Asp)
5 ASP A  32
GLY A  34
ASP A 215
SER A 219
SER A 222
None
0.94A 3d91A-1b5fA:
6.7
3d91A-1b5fA:
34.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus)
PF00026
(Asp)
6 ASP A  32
GLY A  34
THR A  77
PHE A 117
ASP A 215
SER A 222
None
0.95A 3d91A-1b5fA:
6.7
3d91A-1b5fA:
34.51
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.
1c8u ACYL-COA
THIOESTERASE II


(Escherichia
coli)
PF13622
(4HBT_3)
5 GLN A  33
GLY A 200
SER A  62
LEU A  44
ALA A  43
None
1.09A 3d91A-1c8uA:
undetectable
3d91A-1c8uA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus)
PF00026
(Asp)
5 ASP E 215
GLY E 217
LEU E  30
ASP E  32
SER E  36
None
0.83A 3d91A-1cziE:
43.8
3d91A-1cziE:
36.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus)
PF00026
(Asp)
7 GLN E  13
ASP E  32
GLY E  34
THR E  77
PHE E 117
ASP E 215
SER E 219
None
0.71A 3d91A-1cziE:
43.8
3d91A-1cziE:
36.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus)
PF00026
(Asp)
5 GLN E 188
ASP E 215
GLY E 217
LEU E  30
ASP E  32
None
0.64A 3d91A-1cziE:
43.8
3d91A-1cziE:
36.95
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.
1e6z CHITINASE B

(Serratia
marcescens)
PF00704
(Glyco_hydro_18)
5 GLN A 344
GLY A 412
LEU A 415
ASP A 408
SER A 341
None
1.24A 3d91A-1e6zA:
undetectable
3d91A-1e6zA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htr GASTRICSIN

(Homo sapiens)
PF00026
(Asp)
5 ASP B  32
GLY B  34
PHE B  15
ASP B 217
SER B 221
None
0.78A 3d91A-1htrB:
35.4
3d91A-1htrB:
36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htr GASTRICSIN

(Homo sapiens)
PF00026
(Asp)
5 ASP B 217
GLY B 219
LEU B  30
ASP B  32
SER B  36
None
0.83A 3d91A-1htrB:
35.4
3d91A-1htrB:
36.09
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.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis)
PF00026
(Asp)
5 GLN A 187
ASP A 214
GLY A 216
LEU A 120
ASP A  32
None
ZN  A1457 (-1.9A)
ZN  A1457 ( 3.7A)
None
ZN  A1457 (-1.9A)
1.12A 3d91A-1ibqA:
37.2
3d91A-1ibqA:
28.46
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae)
PF00026
(Asp)
5 ASP A 214
GLY A 216
PHE A 295
LEU A 121
ASP A  33
None
1.27A 3d91A-1izeA:
38.2
3d91A-1izeA:
27.09
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE


(Homo sapiens)
PF00291
(PALP)
5 GLY A 307
THR A 296
LEU A 287
ASP A 281
ALA A 288
None
1.24A 3d91A-1m54A:
undetectable
3d91A-1m54A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mpp PEPSIN

(Rhizomucor
pusillus)
PF00026
(Asp)
5 ASP A 215
GLY A 217
LEU A  30
ASP A  32
SER A  36
None
0.85A 3d91A-1mppA:
37.5
3d91A-1mppA:
31.02
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.
1qas PHOSPHOLIPASE C
DELTA-1


(Rattus
norvegicus)
PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like)
5 GLY A 570
SER A 548
PHE A 593
LEU A 532
ALA A 528
None
1.23A 3d91A-1qasA:
undetectable
3d91A-1qasA:
19.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qdm PROPHYTEPSIN

(Hordeum vulgare)
PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1)
5 ASP A  36
GLY A  38
PHE A  19
ASP A 223
SER A 227
None
0.90A 3d91A-1qdmA:
41.9
3d91A-1qdmA:
34.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
6 ASP E  32
GLY E  34
THR E  77
PHE E 117
ASP E 215
SER E 219
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 ( 4.8A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.0A)
0.77A 3d91A-1qrpE:
44.8
3d91A-1qrpE:
38.62
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.
1s66 HYPOTHETICAL PROTEIN
YDDU


(Escherichia
coli)
PF13426
(PAS_9)
5 GLN L 100
GLY L  32
LEU L 129
SER L  96
ALA L 114
None
1.21A 3d91A-1s66L:
undetectable
3d91A-1s66L:
16.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1smr RENIN

(Mus musculus)
PF00026
(Asp)
8 GLN A  13
ASP A  32
GLY A  34
PHE A 117
ASP A 215
SER A 219
SER A 222
HIS A 287
None
0.41A 3d91A-1smrA:
51.2
3d91A-1smrA:
69.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1smr RENIN

(Mus musculus)
PF00026
(Asp)
5 GLY A  34
PHE A 112
ASP A 215
SER A 222
HIS A 287
None
1.20A 3d91A-1smrA:
51.2
3d91A-1smrA:
69.21
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.
1ur4 GALACTANASE

(Bacillus
licheniformis)
PF07745
(Glyco_hydro_53)
5 GLN A 372
ASP A 272
GLY A 275
ASP A 274
SER A 345
None
CA  A1398 (-3.0A)
None
CA  A1398 (-3.0A)
None
1.22A 3d91A-1ur4A:
undetectable
3d91A-1ur4A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus)
PF00026
(Asp)
5 ASP A 212
GLY A 214
LEU A  30
ASP A  32
SER A  36
None
0.84A 3d91A-1wkrA:
36.5
3d91A-1wkrA:
28.12
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus)
PF00026
(Asp)
5 ASP A 212
GLY A 214
SER A  65
LEU A  30
ASP A  32
None
0.84A 3d91A-1wkrA:
36.5
3d91A-1wkrA:
28.12
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE


(Clostridium
acetobutylicum)
PF04616
(Glyco_hydro_43)
5 GLY A 188
THR A 207
ASP A 128
SER A  30
ALA A  75
None
GOL  A3020 (-4.2A)
GOL  A3020 (-3.4A)
GOL  A3020 ( 4.5A)
GOL  A3020 (-3.3A)
1.19A 3d91A-1yi7A:
undetectable
3d91A-1yi7A:
21.00
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.
1zbm HYPOTHETICAL PROTEIN
AF1704


(Archaeoglobus
fulgidus)
PF02621
(VitK2_biosynth)
5 GLY A  73
THR A   8
LEU A  70
SER A  56
ALA A 178
None
1.05A 3d91A-1zbmA:
undetectable
3d91A-1zbmA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE


(Pyrococcus
horikoshii)
PF01177
(Asp_Glu_race)
5 GLY A 178
SER A 183
THR A 184
SER A  79
ALA A 100
None
1.21A 3d91A-2eq5A:
undetectable
3d91A-2eq5A:
21.97
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.
2ewy BETA-SECRETASE 2

(Homo sapiens)
PF00026
(Asp)
5 ASP A 241
GLY A 243
LEU A  46
ASP A  48
SER A  52
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
DBO  A1001 (-2.7A)
None
0.86A 3d91A-2ewyA:
17.1
3d91A-2ewyA:
27.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens)
PF00026
(Asp)
8 ASP A  33
GLY A  35
SER A  79
PHE A 119
LEU A 219
ASP A 221
SER A 228
ALA A 309
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
None
None
4IG  A 885 (-2.6A)
None
None
0.73A 3d91A-2g1sA:
54.2
3d91A-2g1sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens)
PF00026
(Asp)
10 GLN A  14
ASP A  33
GLY A  35
THR A  80
PHE A 119
LEU A 219
ASP A 221
SER A 225
SER A 228
ALA A 309
4IG  A 885 (-3.2A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.5A)
None
None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.1A)
None
None
0.46A 3d91A-2g1sA:
54.2
3d91A-2g1sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens)
PF00026
(Asp)
5 GLY A  35
PHE A 114
LEU A 219
SER A 228
ALA A 309
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.8A)
None
None
None
1.12A 3d91A-2g1sA:
54.2
3d91A-2g1sA:
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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA


(Synechocystis
sp.)
PF13379
(NMT1_2)
5 GLN A 250
GLY A 156
SER A 236
LEU A 257
ALA A 256
None
1.18A 3d91A-2g29A:
undetectable
3d91A-2g29A:
22.17
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE


(Ensifer
adhaerens)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 GLN A 258
ASP A 230
THR A 239
ASP A 181
HIS A 129
ACT  A1502 ( 4.1A)
None
None
None
None
1.27A 3d91A-2glxA:
undetectable
3d91A-2glxA:
21.96
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY


(Rhodobacter
sphaeroides)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLY A  42
SER A 308
THR A 307
LEU A 362
ALA A 314
None
1.25A 3d91A-2hzgA:
undetectable
3d91A-2hzgA:
21.09
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL


(Homo sapiens)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 GLY A 248
SER A 280
LEU A 376
SER A 276
ALA A 373
None
1.28A 3d91A-2iikA:
undetectable
3d91A-2iikA:
24.27
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.
2iy9 SUBA

(Escherichia
coli)
PF00082
(Peptidase_S8)
5 GLN A 153
ASP A  52
GLY A  90
SER A 272
ALA A  85
None
1.25A 3d91A-2iy9A:
undetectable
3d91A-2iy9A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jfn GLUTAMATE RACEMASE

(Escherichia
coli)
PF01177
(Asp_Glu_race)
5 ASP A  28
GLY A  32
THR A 135
LEU A 209
ALA A 169
GLU  A1287 (-2.8A)
GLU  A1287 ( 4.2A)
GLU  A1287 ( 4.2A)
None
None
1.09A 3d91A-2jfnA:
undetectable
3d91A-2jfnA:
21.02
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.
2jtc STREPTOPAIN

(Streptococcus
pyogenes)
PF01640
(Peptidase_C10)
5 GLY A 136
THR A  52
SER A 126
SER A 141
ALA A 138
None
1.27A 3d91A-2jtcA:
undetectable
3d91A-2jtcA:
23.20
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.
2p2w CITRATE SYNTHASE

(Thermotoga
maritima)
PF00285
(Citrate_synt)
5 GLY A 328
THR A 323
LEU A  49
HIS A 147
ALA A  46
None
1.03A 3d91A-2p2wA:
undetectable
3d91A-2p2wA:
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 GLN A 411
LEU A 140
ASP A 379
SER A 145
ALA A 383
None
1.13A 3d91A-2pa6A:
undetectable
3d91A-2pa6A:
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.
2q34 CURF

(Moorea
producens)
PF00378
(ECH_1)
5 GLN A 133
GLY A  69
SER A 115
LEU A  67
ALA A 109
None
1.23A 3d91A-2q34A:
undetectable
3d91A-2q34A:
23.72
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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2


(Arabidopsis
thaliana)
PF00753
(Lactamase_B)
PF16123
(HAGH_C)
5 GLN A 148
ASP A  93
GLY A  94
SER A 152
SER A 158
None
1.24A 3d91A-2q42A:
undetectable
3d91A-2q42A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei)
PF00026
(Asp)
5 ASP A 237
GLY A 239
LEU A  36
ASP A  38
SER A  42
None
0.84A 3d91A-2rmpA:
38.1
3d91A-2rmpA:
30.61
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum)
PF00026
(Asp)
5 ASP A 213
GLY A 215
PHE A 295
LEU A 121
ASP A  33
PP6  A 327 ( 2.5A)
PP6  A 327 (-3.6A)
None
None
PP6  A 327 ( 2.7A)
1.20A 3d91A-2wedA:
38.2
3d91A-2wedA:
25.55
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.
2zr1 AGGLUTININ-1 CHAIN A

(Abrus
precatorius)
PF00161
(RIP)
5 GLY A  66
THR A  70
LEU A  97
SER A  92
ALA A  93
None
1.22A 3d91A-2zr1A:
undetectable
3d91A-2zr1A:
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.
3ce9 GLYCEROL
DEHYDROGENASE


(Clostridium
acetobutylicum)
PF13685
(Fe-ADH_2)
5 GLY A 168
SER A 174
THR A 274
PHE A 298
LEU A 229
None
1.25A 3d91A-3ce9A:
undetectable
3d91A-3ce9A:
22.61
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.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL


(Lactococcus
lactis)
PF02734
(Dak2)
5 GLN A 178
ASP A 126
GLY A 120
SER A 169
ALA A 157
None
1.09A 3d91A-3cr3A:
undetectable
3d91A-3cr3A:
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.
3czb PUTATIVE
TRANSGLYCOSYLASE


(Caulobacter
vibrioides)
PF03562
(MltA)
PF06725
(3D)
5 GLN A 218
GLY A 305
PHE A 293
ASP A 354
ALA A 318
None
1.16A 3d91A-3czbA:
undetectable
3d91A-3czbA:
21.85
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.
3flb RIFR

(Amycolatopsis
mediterranei)
PF00975
(Thioesterase)
5 GLY A  31
PHE A  13
LEU A 146
ASP A 153
ALA A 154
None
1.28A 3d91A-3flbA:
undetectable
3d91A-3flbA:
22.52
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.
3h7o GROUP 3 ALLERGEN
SMIPP-S YV6023A04


(Sarcoptes
scabiei)
PF00089
(Trypsin)
5 GLY A 129
ASP A 186
SER A 181
HIS A  44
ALA A 198
GOL  A 232 (-3.8A)
GOL  A 232 (-4.4A)
None
None
None
1.07A 3d91A-3h7oA:
undetectable
3d91A-3h7oA:
20.30
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.
3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN


(Syntrophus
aciditrophicus)
PF12694
(MoCo_carrier)
5 GLY A  13
THR A  76
LEU A  23
ASP A  19
ALA A  22
GOL  A 158 (-3.7A)
None
None
GOL  A 158 (-2.9A)
None
1.11A 3d91A-3imkA:
undetectable
3d91A-3imkA:
19.53
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.
3k1u BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE


(Clostridium
acetobutylicum)
PF04616
(Glyco_hydro_43)
5 GLY A 197
THR A 216
ASP A 135
SER A  32
ALA A  73
TRS  A 801 ( 4.4A)
TRS  A 801 ( 4.9A)
TRS  A 801 (-2.8A)
TRS  A 801 ( 4.5A)
TRS  A 801 (-3.4A)
1.10A 3d91A-3k1uA:
undetectable
3d91A-3k1uA:
19.47
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.
3nwr A RUBISCO-LIKE
PROTEIN


(Paraburkholderia
fungorum)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
5 GLY A 165
LEU A 377
SER A 357
HIS A 319
ALA A 354
None
None
SO4  A 433 ( 4.7A)
None
None
1.27A 3d91A-3nwrA:
undetectable
3d91A-3nwrA:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oad RENIN

(Homo sapiens)
PF00026
(Asp)
6 LEU B 224
ASP B 226
SER B 230
SER B 233
HIS B 301
ALA B 314
None
0.36A 3d91A-3oadB:
29.1
3d91A-3oadB:
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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster)
PF00291
(PALP)
PF00571
(CBS)
5 GLY A 276
THR A 265
LEU A 256
ASP A 250
ALA A 257
None
1.29A 3d91A-3pc3A:
undetectable
3d91A-3pc3A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF13561
(adh_short_C2)
5 GLY A 252
PHE A 153
ASP A 250
SER A 145
ALA A 249
None
None
None
NAP  A 601 (-3.3A)
None
1.26A 3d91A-3toxA:
undetectable
3d91A-3toxA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aa9 CHYMOSIN

(Camelus
dromedarius)
PF00026
(Asp)
5 GLN A  15
ASP A  34
GLY A  36
ASP A 216
SER A 220
None
None
None
GOL  A1334 (-3.5A)
None
0.86A 3d91A-4aa9A:
39.2
3d91A-4aa9A:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aa9 CHYMOSIN

(Camelus
dromedarius)
PF00026
(Asp)
5 GLN A  15
ASP A  34
GLY A  36
PHE A  17
ASP A 216
None
None
None
None
GOL  A1334 (-3.5A)
0.80A 3d91A-4aa9A:
39.2
3d91A-4aa9A:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amt RENIN

(Homo sapiens)
PF00026
(Asp)
PF07966
(A1_Propeptide)
7 ASP A  81
GLY A  83
LEU A 267
ASP A 269
SER A 273
SER A 276
ALA A 357
None
None
None
None
SO4  A1387 (-3.8A)
None
None
0.42A 3d91A-4amtA:
44.5
3d91A-4amtA:
88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amt RENIN

(Homo sapiens)
PF00026
(Asp)
PF07966
(A1_Propeptide)
7 ASP A  81
GLY A  83
PHE A 167
LEU A 267
ASP A 269
SER A 276
ALA A 357
None
0.70A 3d91A-4amtA:
44.5
3d91A-4amtA:
88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amt RENIN

(Homo sapiens)
PF00026
(Asp)
PF07966
(A1_Propeptide)
6 GLN A  62
ASP A  81
GLY A  83
LEU A 267
ASP A 269
SER A 273
None
None
None
None
None
SO4  A1387 (-3.8A)
1.32A 3d91A-4amtA:
44.5
3d91A-4amtA:
88.77
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.
4glx DNA LIGASE

(Escherichia
coli)
PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
5 GLN A 435
GLY A 521
SER A 439
SER A 445
ALA A 448
None
1.25A 3d91A-4glxA:
undetectable
3d91A-4glxA:
19.73
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
5 ASP A 226
GLY A 241
LEU A 218
SER A 178
ALA A 114
None
1.29A 3d91A-4h1sA:
undetectable
3d91A-4h1sA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ASP A3372
GLY A3367
SER A3397
PHE A3441
SER A3432
None
1.06A 3d91A-4kc5A:
undetectable
3d91A-4kc5A:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kmr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY


(Sanguibacter
keddieii)
PF13377
(Peripla_BP_3)
5 GLY A 289
SER A 342
THR A 343
LEU A 261
ALA A 260
None
0.91A 3d91A-4kmrA:
undetectable
3d91A-4kmrA:
21.11
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.
4kys THIAMINE
PYRIDINYLASE I


(Clostridium
botulinum)
PF01547
(SBP_bac_1)
5 ASP A 302
GLY A 301
PHE A  55
LEU A 380
ALA A 125
VIB  A 501 (-2.9A)
None
None
None
None
1.12A 3d91A-4kysA:
undetectable
3d91A-4kysA:
20.09
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN


(Thermomonospora
curvata)
PF13458
(Peripla_BP_6)
5 GLY A 372
LEU A 306
SER A 327
SER A 303
ALA A 304
None
None
PLM  A 601 (-3.6A)
None
None
1.25A 3d91A-4n03A:
undetectable
3d91A-4n03A:
21.10
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN


(Thermomonospora
curvata)
PF13458
(Peripla_BP_6)
5 GLY A 372
THR A 297
LEU A 306
SER A 327
ALA A 304
None
PLM  A 601 ( 4.8A)
None
PLM  A 601 (-3.6A)
None
1.17A 3d91A-4n03A:
undetectable
3d91A-4n03A:
21.10
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.
4rcd BETA-SECRETASE 1

(Homo sapiens)
PF00026
(Asp)
5 ASP A 228
GLY A 230
LEU A  30
ASP A  32
SER A  36
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
0.73A 3d91A-4rcdA:
34.7
3d91A-4rcdA:
26.63
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.
4rcd BETA-SECRETASE 1

(Homo sapiens)
PF00026
(Asp)
5 ASP A 228
GLY A 230
THR A  72
LEU A  30
ASP A  32
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
1.08A 3d91A-4rcdA:
34.7
3d91A-4rcdA:
26.63
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1


(Pisum sativum)
PF00223
(PsaA_PsaB)
5 GLN A 490
GLY A 640
SER A 646
ASP A 623
HIS A 615
None
None
None
None
CLA  A1135 (-3.7A)
1.28A 3d91A-4rkuA:
undetectable
3d91A-4rkuA:
18.52
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN


(Vibrio cholerae)
PF13531
(SBP_bac_11)
5 GLY A 248
SER A 105
LEU A 196
SER A  33
ALA A 195
None
None
None
WO4  A 301 (-2.4A)
None
1.23A 3d91A-4rxlA:
undetectable
3d91A-4rxlA:
21.43
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN


(Rhizobium etli)
PF13407
(Peripla_BP_4)
5 ASP A 219
GLY A 244
LEU A 306
SER A 251
ALA A 303
None
1.04A 3d91A-4ry0A:
undetectable
3d91A-4ry0A:
22.13
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT


(Desulfovibrio
vulgaris)
PF00374
(NiFeSe_Hases)
5 GLY L 386
SER L 502
THR L 503
SER L 483
ALA L 477
None
NWN  L 601 (-2.7A)
None
None
NWN  L 601 (-3.4A)
1.10A 3d91A-4u9iL:
undetectable
3d91A-4u9iL:
20.65
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.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans)
PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat)
5 LEU A 292
ASP A 293
SER A 298
HIS A 355
ALA A 294
None
1.27A 3d91A-4v15A:
undetectable
3d91A-4v15A:
21.95
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE


(Sulfolobus
acidocaldarius)
PF00180
(Iso_dh)
5 GLY A 312
SER A 323
THR A 316
SER A 330
ALA A 331
None
1.20A 3d91A-4y1pA:
undetectable
3d91A-4y1pA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3


(Pseudomonas
aeruginosa)
PF01471
(PG_binding_1)
PF13406
(SLT_2)
5 ASP A 223
GLY A 222
SER A 231
ASP A 219
SER A 238
CA  A 997 (-2.8A)
None
CA  A 997 ( 4.8A)
CA  A 997 (-3.3A)
None
1.18A 3d91A-5ao8A:
undetectable
3d91A-5ao8A:
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.
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE


(Homo sapiens)
PF00266
(Aminotran_5)
5 GLN A  65
SER A 218
LEU A 242
SER A 221
ALA A  88
None
1.25A 3d91A-5f9sA:
undetectable
3d91A-5f9sA:
22.54
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.
5hdf HYDROLASE

(Streptomyces
flocculus)
no annotation 5 GLY B 210
SER B 188
THR B 191
LEU B 304
ALA B 303
None
1.15A 3d91A-5hdfB:
undetectable
3d91A-5hdfB:
20.54
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.
5hp6 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C)
5 GLY A 305
ASP A 238
SER A  70
HIS A  71
ALA A 127
CA  A 902 ( 4.5A)
TRS  A 903 (-2.7A)
TRS  A 903 ( 4.0A)
None
TRS  A 903 ( 4.5A)
1.29A 3d91A-5hp6A:
undetectable
3d91A-5hp6A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iaa UBIQUITIN-FOLD
MODIFIER 1
UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5


(Homo sapiens)
PF00899
(ThiF)
PF03671
(Ufm1)
5 GLY A 214
SER C  12
THR C  11
ASP C  80
SER C  47
None
1.17A 3d91A-5iaaA:
undetectable
3d91A-5iaaA:
24.18
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II


(Lactobacillus
brevis)
PF04616
(Glyco_hydro_43)
5 ASP A  17
ASP A 141
SER A 218
SER A 166
ALA A 156
PGE  A 403 ( 2.9A)
TRS  A 402 (-3.0A)
None
None
None
1.16A 3d91A-5m8bA:
undetectable
3d91A-5m8bA:
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE


(Weissella
cibaria)
PF04616
(Glyco_hydro_43)
5 ASP A  15
ASP A 139
SER A 216
SER A 164
ALA A 154
GOL  A 403 (-2.6A)
GOL  A 403 ( 3.9A)
None
None
None
1.18A 3d91A-5m8eA:
undetectable
3d91A-5m8eA:
21.39
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.
5mkt RENIN-1

(Mus musculus)
no annotation 5 ASP A  81
GLY A  83
ASP A 266
SER A 270
SER A 273
None
0.70A 3d91A-5mktA:
40.0
3d91A-5mktA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkt RENIN-1

(Mus musculus)
no annotation 5 ASP A  81
GLY A  83
PHE A 167
ASP A 266
SER A 273
None
0.74A 3d91A-5mktA:
40.0
3d91A-5mktA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlg RENIN

(Rattus
norvegicus)
no annotation 6 ASP A  81
GLY A  83
LEU A  55
ASP A 266
SER A 270
SER A 273
None
1.46A 3d91A-5mlgA:
45.7
3d91A-5mlgA:
12.65
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.
5mlg RENIN

(Rattus
norvegicus)
no annotation 5 ASP A  81
GLY A  83
PHE A 167
ASP A 266
SER A 273
None
0.61A 3d91A-5mlgA:
45.7
3d91A-5mlgA:
12.65
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.
5mov CASEIN KINASE II
SUBUNIT ALPHA


(Homo sapiens)
PF00069
(Pkinase)
5 GLN A  40
GLY A  34
THR A  60
ASP A  99
ALA A  98
None
1.25A 3d91A-5movA:
undetectable
3d91A-5movA:
22.31
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 5 ASP A  36
GLY A  38
PHE A 121
ASP A 227
SER A 231
None
0.53A 3d91A-5n7qA:
45.7
3d91A-5n7qA:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B


(Cynara
cardunculus)
no annotation 5 ASP A  80
GLY A  82
PHE A 166
ASP A 267
SER A 271
None
0.62A 3d91A-5nfgA:
44.4
3d91A-5nfgA:
39.79
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 5 ASP A  92
SER A  78
PHE A  99
SER A 247
HIS A  69
None
None
None
None
MN  A 301 ( 3.2A)
1.18A 3d91A-5nnbA:
undetectable
3d91A-5nnbA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30)
PF09995
(DUF2236)
5 GLN A 121
GLY A 172
SER A 264
LEU A 234
ALA A 235
None
1.12A 3d91A-5o1mA:
undetectable
3d91A-5o1mA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5pep PEPSIN

(Sus scrofa)
PF00026
(Asp)
6 ASP A  32
GLY A  34
THR A  77
PHE A 117
ASP A 215
SER A 219
None
0.81A 3d91A-5pepA:
44.6
3d91A-5pepA:
39.47
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus)
no annotation 6 GLN A  14
ASP A  33
GLY A  35
PHE A 126
ASP A 226
SER A 230
None
3UT  A 404 (-2.9A)
3UT  A 404 (-3.5A)
None
3UT  A 404 (-2.4A)
3UT  A 404 ( 3.8A)
0.59A 3d91A-5ux4A:
46.9
3d91A-5ux4A:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v1b EGL NINE HOMOLOG 2

(Homo sapiens)
PF13640
(2OG-FeII_Oxy_3)
5 GLY A 305
PHE A 350
LEU A 389
ASP A 304
ALA A 390
None
1.20A 3d91A-5v1bA:
undetectable
3d91A-5v1bA:
18.77
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.
5x4t PHOTOACTIVATED
ADENYLYL CYCLASE


(Cyanobacteria)
PF00211
(Guanylate_cyc)
PF04940
(BLUF)
5 GLY A 335
THR A 282
SER A 243
SER A 159
ALA A 340
None
0.77A 3d91A-5x4tA:
undetectable
3d91A-5x4tA:
20.77
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.
5x5v GD

(Suid
alphaherpesvirus
1)
PF01537
(Herpes_glycop_D)
5 GLN A  76
ASP A 147
LEU A 152
SER A  73
ALA A  70
None
1.29A 3d91A-5x5vA:
undetectable
3d91A-5x5vA:
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.
6bwl PAL

(Bacillus
thuringiensis)
no annotation 5 GLY A 149
SER A  88
SER A 274
HIS A 271
ALA A 144
None
1.20A 3d91A-6bwlA:
undetectable
3d91A-6bwlA:
13.53
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE


(Saccharomyces
cerevisiae)
no annotation 5 GLY A 247
THR A 236
LEU A 227
ASP A 221
ALA A 228
None
EDO  A 412 (-3.6A)
None
None
None
1.29A 3d91A-6c2hA:
undetectable
3d91A-6c2hA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA


(Escherichia
coli)
no annotation 5 SER A  17
THR A  14
LEU A 166
SER A 158
ALA A 163
None
1.21A 3d91A-6cc4A:
undetectable
3d91A-6cc4A:
12.27
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.
6ehs HYDROGENASE-2 LARGE
CHAIN


(Escherichia
coli)
no annotation 5 GLY L 378
SER L 502
THR L 503
SER L 483
ALA L 477
None
FCO  L 601 (-2.8A)
None
None
FCO  L 601 (-3.6A)
1.07A 3d91A-6ehsL:
undetectable
3d91A-6ehsL:
12.13
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens)
no annotation 5 ASP A 637
GLY A 639
LEU A 439
ASP A 441
SER A 445
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
0.70A 3d91A-6ej2A:
15.2
3d91A-6ej2A:
13.38
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.
1b8x PROTEIN (AML-1B)

(Escherichia
coli)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TYR A 103
ALA A 109
ALA A 157
MET A 128
None
1.15A 3d91A-1b8xA:
0.0
3d91A-1b8xA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bg5 FUSION PROTEIN OF
ALPHA-NA,K-ATPASE
WITH GLUTATHIONE
S-TRANSFERASE


(Rattus
norvegicus)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TYR A 104
ALA A 110
ALA A 158
MET A 129
None
1.10A 3d91A-1bg5A:
undetectable
3d91A-1bg5A:
20.69
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)


(Ipomoea batatas)
PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
4 TYR A 309
ALA A  90
TYR A  82
MET A  70
None
1.21A 3d91A-1bt2A:
0.0
3d91A-1bt2A:
21.68
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F


([Clostridium]
cellulolyticum)
PF02011
(Glyco_hydro_48)
4 TYR A   9
ALA A 509
ALA A 619
MET A  66
None
1.23A 3d91A-1fbwA:
undetectable
3d91A-1fbwA:
20.57
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.
1fi8 NATURAL KILLER CELL
PROTEASE 1


(Rattus
norvegicus)
PF00089
(Trypsin)
4 TYR A 137
ALA A 183
ALA A 209
MET A  30
None
0.84A 3d91A-1fi8A:
0.0
3d91A-1fi8A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g59 GLUTAMYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00749
(tRNA-synt_1c)
4 TYR A  67
ALA A   7
ALA A  19
TYR A  20
None
1.24A 3d91A-1g59A:
0.0
3d91A-1g59A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis)
PF00245
(Alk_phosphatase)
4 TYR A 421
ALA A  46
ALA A 377
TYR A 366
None
1.19A 3d91A-1k7hA:
0.0
3d91A-1k7hA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum)
PF05034
(MAAL_N)
PF07476
(MAAL_C)
4 TYR A 347
ALA A 324
ALA A 355
TYR A 356
None
1.15A 3d91A-1kczA:
0.0
3d91A-1kczA:
22.25
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.
1lqt FPRA

(Mycobacterium
tuberculosis)
PF07992
(Pyr_redox_2)
4 ALA A 103
ALA A  99
TYR A  97
MET A  34
FAD  A2457 (-4.9A)
None
None
None
1.28A 3d91A-1lqtA:
0.0
3d91A-1lqtA:
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.
1ndf CARNITINE
ACETYLTRANSFERASE


(Mus musculus)
PF00755
(Carn_acyltransf)
4 TYR A 442
ALA A 499
ALA A 610
MET A 603
None
1.15A 3d91A-1ndfA:
0.0
3d91A-1ndfA:
20.17
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae)
PF00144
(Beta-lactamase)
4 TYR A 325
ALA A  31
TYR A  41
MET A  28
None
1.23A 3d91A-1s6rA:
undetectable
3d91A-1s6rA:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT


(Pseudomonas
putida)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C)
4 ALA C 116
ALA C 120
TYR C 190
MET C 194
FAD  C4931 (-3.1A)
None
FAD  C4931 (-4.1A)
None
1.23A 3d91A-1t3qC:
undetectable
3d91A-1t3qC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE


(Streptomyces
avermitilis)
PF00903
(Glyoxalase)
4 ALA A  29
ALA A  37
TYR A  39
MET A  46
None
1.15A 3d91A-1t47A:
0.1
3d91A-1t47A:
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.
1uf3 HYPOTHETICAL PROTEIN
TT1561


(Thermus
thermophilus)
PF14582
(Metallophos_3)
4 TYR A  68
ALA A  62
ALA A  10
TYR A 212
None
1.23A 3d91A-1uf3A:
undetectable
3d91A-1uf3A:
21.59
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.
1urj MAJOR DNA-BINDING
PROTEIN


(Human
alphaherpesvirus
1)
PF00747
(Viral_DNA_bp)
4 ALA A 263
ALA A 322
TYR A 681
MET A 716
None
1.15A 3d91A-1urjA:
undetectable
3d91A-1urjA:
14.70
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.
1urj MAJOR DNA-BINDING
PROTEIN


(Human
alphaherpesvirus
1)
PF00747
(Viral_DNA_bp)
4 ALA A 264
ALA A 322
TYR A 681
MET A 716
None
1.07A 3d91A-1urjA:
undetectable
3d91A-1urjA:
14.70
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG


(Plasmodium
falciparum)
PF00069
(Pkinase)
4 TYR A  66
ALA A  21
TYR A  19
MET A   1
None
1.25A 3d91A-1v0bA:
undetectable
3d91A-1v0bA:
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE


(Spinacia
oleracea)
PF01450
(IlvC)
PF07991
(IlvN)
4 TYR I 388
ALA I 540
ALA I 465
TYR I 461
None
0.96A 3d91A-1yveI:
undetectable
3d91A-1yveI:
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.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE


(Alcaligenaceae
bacterium FB188)
PF00850
(Hist_deacetyl)
4 ALA A 135
ALA A 162
TYR A 164
MET A 171
None
1.25A 3d91A-1zz3A:
undetectable
3d91A-1zz3A:
24.08
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.
2b5o FERREDOXIN--NADP
REDUCTASE


(Synechococcus
sp. PCC 7002)
PF00175
(NAD_binding_1)
4 TYR A 342
ALA A 328
ALA A 320
TYR A 334
None
1.19A 3d91A-2b5oA:
undetectable
3d91A-2b5oA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6r DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY


(Deinococcus
radiodurans)
PF00210
(Ferritin)
4 TYR A 142
ALA A  61
TYR A 179
MET A 183
None
1.21A 3d91A-2c6rA:
undetectable
3d91A-2c6rA:
21.26
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.
2csg PUTATIVE CYTOPLASMIC
PROTEIN


(Salmonella
enterica)
PF07350
(DUF1479)
4 TYR A 184
ALA A 381
ALA A 373
MET A 367
None
1.28A 3d91A-2csgA:
undetectable
3d91A-2csgA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens)
PF00026
(Asp)
4 ALA A 117
ALA A 224
TYR A 226
MET A 298
4IG  A 885 ( 4.6A)
4IG  A 885 ( 4.7A)
None
None
0.72A 3d91A-2g1sA:
54.2
3d91A-2g1sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g1s RENIN

(Homo sapiens)
PF00026
(Asp)
4 TYR A  78
ALA A 117
ALA A 224
MET A 298
4IG  A 885 (-4.0A)
4IG  A 885 ( 4.6A)
4IG  A 885 ( 4.7A)
None
0.49A 3d91A-2g1sA:
54.2
3d91A-2g1sA:
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.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE


(Archaeoglobus
fulgidus)
PF00730
(HhH-GPD)
4 TYR A  51
ALA A  47
TYR A  79
MET A  16
None
None
GOL  A1300 (-4.3A)
None
1.09A 3d91A-2jhnA:
undetectable
3d91A-2jhnA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nmp CYSTATHIONINE
GAMMA-LYASE


(Homo sapiens)
PF01053
(Cys_Met_Meta_PP)
4 TYR A 208
ALA A 203
ALA A  76
TYR A  83
None
1.25A 3d91A-2nmpA:
undetectable
3d91A-2nmpA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o01 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLAST


(Spinacia
oleracea)
PF02605
(PsaL)
4 TYR L 159
ALA L  88
ALA L  80
TYR L  79
None
1.12A 3d91A-2o01L:
undetectable
3d91A-2o01L:
18.90
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.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE


(Aquifex
aeolicus)
PF00288
(GHMP_kinases_N)
4 TYR A  31
ALA A 101
ALA A   8
TYR A  37
None
1.27A 3d91A-2v8pA:
undetectable
3d91A-2v8pA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME


(Homo sapiens)
PF01401
(Peptidase_M2)
4 TYR A 237
ALA A 250
ALA A 154
TYR A 607
None
1.11A 3d91A-2xydA:
undetectable
3d91A-2xydA:
19.31
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B


(Rhodobacter
capsulatus)
PF00148
(Oxidored_nitro)
4 TYR B 212
ALA B 220
ALA B 133
TYR B 131
None
1.04A 3d91A-3aeqB:
undetectable
3d91A-3aeqB:
21.32
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.
3ayn RHODOPSIN

(Todarodes
pacificus)
PF00001
(7tm_1)
4 TYR A 134
ALA A 260
ALA A 127
MET A 155
None
1.19A 3d91A-3aynA:
undetectable
3d91A-3aynA:
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.
3cru GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME


(Schistosoma
japonicum)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TYR A 104
ALA A 110
ALA A 158
MET A 129
None
1.10A 3d91A-3cruA:
undetectable
3d91A-3cruA:
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.
3epd PROTEIN VP2

(Enterovirus C)
PF00073
(Rhv)
4 TYR 2 130
ALA 2  85
ALA 2 147
TYR 2 144
None
1.07A 3d91A-3epd2:
undetectable
3d91A-3epd2:
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.
3ez9 PARA

(Salmonella
enterica)
PF13614
(AAA_31)
4 TYR A  38
ALA A 382
ALA A 131
MET A 160
None
1.06A 3d91A-3ez9A:
undetectable
3d91A-3ez9A:
21.58
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.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
4 ALA A 334
ALA A 439
TYR A 310
MET A 442
None
1.21A 3d91A-3fhtA:
undetectable
3d91A-3fhtA:
20.24
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.
3gaa UNCHARACTERIZED
PROTEIN TA1441


(Thermoplasma
acidophilum)
PF09754
(PAC2)
4 ALA A 205
ALA A  44
TYR A  46
MET A  53
None
1.28A 3d91A-3gaaA:
undetectable
3d91A-3gaaA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4o NITROREDUCTASE
FAMILY PROTEIN


(Clostridioides
difficile)
PF00881
(Nitroreductase)
4 TYR A  66
ALA A  71
ALA A 113
TYR A 145
FMN  A 300 (-4.6A)
None
None
None
1.11A 3d91A-3h4oA:
undetectable
3d91A-3h4oA:
17.92
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.
3ib3 COCE/NOND FAMILY
HYDROLASE


(Staphylococcus
aureus)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
4 TYR A 146
ALA A 153
ALA A 124
TYR A  55
None
1.26A 3d91A-3ib3A:
undetectable
3d91A-3ib3A:
21.00
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.
3iuy PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX53


(Homo sapiens)
PF00270
(DEAD)
4 TYR A 285
ALA A 387
ALA A 275
TYR A 438
None
1.22A 3d91A-3iuyA:
undetectable
3d91A-3iuyA:
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.
3q9n COA BINDING PROTEIN
CONSENSUS ANKYRIN
REPEAT


(Escherichia
coli)
PF12796
(Ank_2)
PF13380
(CoA_binding_2)
PF13637
(Ank_4)
4 TYR A  93
ALA C  67
ALA A  87
TYR A 109
None
1.30A 3d91A-3q9nA:
undetectable
3d91A-3q9nA:
15.61
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA


(Bacillus
subtilis)
PF01343
(Peptidase_S49)
4 TYR A 151
ALA A 246
ALA A 146
MET A 141
None
1.27A 3d91A-3rstA:
undetectable
3d91A-3rstA:
22.85
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.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius)
PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
4 ALA A 255
ALA A 164
TYR A 167
MET A 412
None
None
MPD  A 540 ( 4.1A)
None
1.10A 3d91A-3rx8A:
undetectable
3d91A-3rx8A:
20.66
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT


(uncultured
archaeon)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
4 TYR A 497
ALA A 325
TYR A 337
MET A 281
None
None
0AF  A 333 ( 4.1A)
0AF  A 333 ( 4.8A)
1.07A 3d91A-3sqgA:
undetectable
3d91A-3sqgA:
20.56
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Coxiella
burnetii)
PF00275
(EPSP_synthase)
4 TYR A 151
ALA A  84
ALA A 106
TYR A 180
None
1.08A 3d91A-3tr1A:
undetectable
3d91A-3tr1A:
21.63
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.
3ttk POLYAMINE TRANSPORT
PROTEIN


(Pseudomonas
aeruginosa)
PF13416
(SBP_bac_8)
4 TYR A 241
ALA A 270
ALA A 238
TYR A 140
None
0.89A 3d91A-3ttkA:
undetectable
3d91A-3ttkA:
22.25
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.
3ttl POLYAMINE TRANSPORT
PROTEIN


(Pseudomonas
aeruginosa)
PF13416
(SBP_bac_8)
4 TYR A 239
ALA A 268
ALA A 236
TYR A 139
None
1.06A 3d91A-3ttlA:
undetectable
3d91A-3ttlA:
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.
3tuf STAGE III
SPORULATION PROTEIN
AH


(Bacillus
subtilis)
PF12685
(SpoIIIAH)
4 TYR A 109
ALA A 211
ALA A 170
TYR A 167
None
1.17A 3d91A-3tufA:
undetectable
3d91A-3tufA:
20.18
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.
3w5v FERREDOXIN

(Zea mays)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 TYR A 254
ALA A 240
ALA A 232
TYR A 246
None
1.23A 3d91A-3w5vA:
undetectable
3d91A-3w5vA:
21.20
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Pseudomonas
aeruginosa)
PF00483
(NTP_transferase)
4 TYR A 258
ALA A 272
TYR A  37
MET A  44
None
1.13A 3d91A-4asyA:
undetectable
3d91A-4asyA:
22.87
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1


(Mus musculus)
PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest)
4 TYR A 422
ALA A 437
ALA A 457
TYR A 453
None
1.22A 3d91A-4b56A:
undetectable
3d91A-4b56A:
17.55
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.
4bl0 CELL CYCLE ARREST
PROTEIN BUB3


(Saccharomyces
cerevisiae)
PF00400
(WD40)
4 TYR A 334
ALA A 269
ALA A 290
MET A   1
None
1.30A 3d91A-4bl0A:
undetectable
3d91A-4bl0A:
22.99
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.
4bq4 B-AGARASE

(Saccharophagus
degradans)
PF02449
(Glyco_hydro_42)
4 TYR A 130
ALA A 713
ALA A 219
MET A  87
None
1.29A 3d91A-4bq4A:
undetectable
3d91A-4bq4A:
18.47
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.
4c90 ALPHA-GLUCURONIDASE
GH115


(Bacteroides
ovatus)
PF15979
(Glyco_hydro_115)
4 TYR A 379
ALA A 333
ALA A 371
TYR A 420
None
1.19A 3d91A-4c90A:
undetectable
3d91A-4c90A:
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.
4eh1 FLAVOHEMOPROTEIN

(Vibrio cholerae)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
4 TYR A 233
ALA A 229
TYR A 111
MET A 130
SO4  A 304 (-4.3A)
None
None
None
0.91A 3d91A-4eh1A:
undetectable
3d91A-4eh1A:
21.85
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN


(Hahella
chejuensis)
PF02011
(Glyco_hydro_48)
4 ALA A 539
ALA A 660
TYR A  37
MET A  44
None
None
None
EDO  A 825 (-4.7A)
1.10A 3d91A-4fusA:
undetectable
3d91A-4fusA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE


(Escherichia
coli;
Escherichia
virus Qbeta)
PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B)
4 ALA A 314
ALA A 362
TYR A 361
MET A 383
None
1.03A 3d91A-4fwtA:
undetectable
3d91A-4fwtA:
13.62
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.
4gyo RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE J


(Bacillus
subtilis)
PF13424
(TPR_12)
4 TYR A 242
ALA A 206
ALA A 220
TYR A 217
None
1.26A 3d91A-4gyoA:
undetectable
3d91A-4gyoA:
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.
4ho4 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Aneurinibacillus
thermoaerophilus)
PF00483
(NTP_transferase)
4 TYR A 256
ALA A 270
TYR A  35
MET A  42
None
1.09A 3d91A-4ho4A:
undetectable
3d91A-4ho4A:
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.
4i0c CABHUL5 ANTIBODY

(Camelus
dromedarius)
PF07686
(V-set)
4 TYR C  50
ALA C 112
ALA C  47
MET C  77
None
CL  C 201 ( 3.7A)
None
None
1.21A 3d91A-4i0cC:
undetectable
3d91A-4i0cC:
17.73
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.
4j0q ELONGATION FACTOR
TU-A


(Pseudomonas
putida)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
4 ALA A  30
ALA A  78
TYR A  77
MET A  99
None
1.20A 3d91A-4j0qA:
undetectable
3d91A-4j0qA:
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC


([Bacillus]
selenitireducens)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
4 TYR A 629
ALA A 642
TYR A 643
MET A 681
None
1.05A 3d91A-4ktpA:
undetectable
3d91A-4ktpA:
18.96
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.
4lnv THIOESTER-CONTAINING
PROTEIN I


(Anopheles
gambiae)
PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
4 TYR A1025
ALA A1033
ALA A1076
MET A1052
None
1.08A 3d91A-4lnvA:
undetectable
3d91A-4lnvA:
14.47
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.
4n2z GH62
ARABINOFURANOSIDASE


(Podospora
anserina)
PF03664
(Glyco_hydro_62)
4 TYR A 187
ALA A 218
ALA A 125
MET A 200
None
1.07A 3d91A-4n2zA:
undetectable
3d91A-4n2zA:
21.16
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN


(Saccharopolyspora
spinosa)
PF08241
(Methyltransf_11)
4 ALA A 235
ALA A 254
TYR A 249
MET A  22
None
1.20A 3d91A-4pneA:
undetectable
3d91A-4pneA:
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus)
PF03664
(Glyco_hydro_62)
4 TYR A 199
ALA A 232
ALA A 131
MET A 212
None
1.09A 3d91A-4pviA:
undetectable
3d91A-4pviA:
19.84
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.
4qre METHIONYL-TRNA
SYNTHETASE


(Staphylococcus
aureus)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g)
4 ALA A 330
ALA A  24
TYR A  25
MET A 309
None
1.10A 3d91A-4qreA:
undetectable
3d91A-4qreA:
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN


(Rhizobium etli)
PF01547
(SBP_bac_1)
4 TYR A 153
ALA A 161
ALA A 194
TYR A 192
None
1.27A 3d91A-4rk2A:
undetectable
3d91A-4rk2A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr4 GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME


(Schistosoma
japonicum)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TYR A 103
ALA A 109
ALA A 157
MET A 128
None
1.09A 3d91A-4wr4A:
undetectable
3d91A-4wr4A:
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.
4ww3 RHODOPSIN

(Todarodes
pacificus)
PF00001
(7tm_1)
4 TYR A 134
ALA A 260
ALA A 127
MET A 155
None
1.15A 3d91A-4ww3A:
undetectable
3d91A-4ww3A:
23.60
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065


(Polaromonas sp.
JS666)
PF03401
(TctC)
4 TYR A 122
ALA A 219
ALA A 204
TYR A 207
None
None
CL  A 402 (-3.6A)
None
1.23A 3d91A-4x9tA:
undetectable
3d91A-4x9tA:
22.43
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE


(Corynebacterium
diphtheriae)
PF03275
(GLF)
PF13450
(NAD_binding_8)
4 ALA A 282
ALA A  89
TYR A  96
MET A 100
None
1.11A 3d91A-4xgkA:
undetectable
3d91A-4xgkA:
20.62
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans)
PF02011
(Glyco_hydro_48)
4 TYR A   4
ALA A 500
ALA A 619
MET A  61
None
1.28A 3d91A-4xwlA:
undetectable
3d91A-4xwlA:
19.12
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans)
PF02011
(Glyco_hydro_48)
4 TYR A 352
ALA A 320
ALA A 415
TYR A 419
None
None
None
EDO  A 721 (-4.3A)
1.29A 3d91A-4xwlA:
undetectable
3d91A-4xwlA:
19.12
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.
4xz7 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Streptococcus
suis)
PF01841
(Transglut_core)
4 TYR A 268
ALA A 293
ALA A 263
TYR A 261
None
0.93A 3d91A-4xz7A:
undetectable
3d91A-4xz7A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE


(Sulfolobus
solfataricus)
PF00288
(GHMP_kinases_N)
4 ALA A 105
ALA A  14
TYR A  18
MET A 245
None
1.10A 3d91A-4z7yA:
undetectable
3d91A-4z7yA:
23.54
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa)
PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
4 ALA A  30
ALA A  78
TYR A  77
MET A  99
None
1.25A 3d91A-4zv4A:
undetectable
3d91A-4zv4A:
21.32
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.
4zxi TYROCIDINE
SYNTHETASE 3


(Acinetobacter
baumannii)
PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C)
4 TYR A1116
ALA A1247
ALA A1141
TYR A1142
None
1.10A 3d91A-4zxiA:
undetectable
3d91A-4zxiA:
13.46
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA


(Methanothermobacter
marburgensis)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
4 TYR A 480
ALA A 313
TYR A 325
MET A 270
None
None
None
AGM  A 274 ( 4.0A)
1.24A 3d91A-5a8rA:
undetectable
3d91A-5a8rA:
19.31
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.
5aid MEP2

(Candida
albicans)
PF00909
(Ammonium_transp)
4 ALA A 405
ALA A 197
TYR A 198
MET A 134
None
1.29A 3d91A-5aidA:
undetectable
3d91A-5aidA:
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE


(Bacillus
pumilus)
PF02011
(Glyco_hydro_48)
4 TYR A 360
ALA A 327
ALA A 423
TYR A 427
None
1.27A 3d91A-5bv9A:
undetectable
3d91A-5bv9A:
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN


(Photobacterium
profundum)
PF00759
(Glyco_hydro_9)
4 TYR A 382
ALA A 315
ALA A 376
MET A 463
None
1.16A 3d91A-5dgqA:
undetectable
3d91A-5dgqA:
20.10
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.
5e4i CONTACTIN-5

(Mus musculus)
PF07679
(I-set)
PF13927
(Ig_3)
4 TYR A  96
ALA A 174
ALA A 470
TYR A 455
None
1.22A 3d91A-5e4iA:
undetectable
3d91A-5e4iA:
22.01
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.
5hgc SERPIN

(Taeniopygia
guttata)
PF00079
(Serpin)
4 ALA A  86
ALA A  65
TYR A 143
MET A 119
None
1.11A 3d91A-5hgcA:
undetectable
3d91A-5hgcA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Burkholderia
vietnamiensis)
PF00483
(NTP_transferase)
4 TYR A 258
ALA A 272
TYR A  37
MET A  44
None
1.12A 3d91A-5ifyA:
undetectable
3d91A-5ifyA:
19.27
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1


(Burkholderia
thailandensis)
PF05853
(BKACE)
4 TYR A 545
ALA A 725
ALA A 717
TYR A 715
None
1.28A 3d91A-5ikzA:
undetectable
3d91A-5ikzA:
15.56
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
4 TYR A 226
ALA A 154
ALA A 162
MET A 172
None
0.94A 3d91A-5ju6A:
undetectable
3d91A-5ju6A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei)
PF00141
(peroxidase)
4 TYR A 201
ALA A 120
ALA A 231
TYR A 238
None
None
None
TOX  A 111 ( 2.9A)
1.10A 3d91A-5kqiA:
undetectable
3d91A-5kqiA:
17.44
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.
5lzl DELTA-AMINOLEVULINIC
ACID DEHYDRATASE


(Pyrobaculum
calidifontis)
PF00490
(ALAD)
4 TYR A 281
ALA A 317
ALA A 200
MET A 176
None
1.25A 3d91A-5lzlA:
undetectable
3d91A-5lzlA:
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT


(Homo sapiens)
no annotation 4 ALA A 597
ALA A 582
TYR A 581
MET A 629
None
1.10A 3d91A-5nprA:
undetectable
3d91A-5nprA:
13.83
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA


(Caulobacter
vibrioides)
PF00043
(GST_C)
PF13417
(GST_N_3)
4 TYR A 149
ALA A 168
ALA A 193
TYR A 197
None
1.05A 3d91A-5nr1A:
undetectable
3d91A-5nr1A:
18.57
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.
5ns8 -

(-)
no annotation 4 TYR A 415
ALA A 353
ALA A 429
TYR A 432
None
1.24A 3d91A-5ns8A:
undetectable
3d91A-5ns8A:
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.
5onu OUTER MEMBRANE
PROTEIN OMPU


(Vibrio cholerae)
no annotation 4 TYR A 320
ALA A 306
ALA A 286
TYR A 280
None
None
C8E  A 401 ( 4.0A)
None
1.22A 3d91A-5onuA:
undetectable
3d91A-5onuA:
13.50
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.
5tn0 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SINR


(Bacillus
subtilis)
no annotation 4 TYR A  15
ALA A  52
ALA A  21
TYR A  30
None
1.18A 3d91A-5tn0A:
undetectable
3d91A-5tn0A:
14.47
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE


(Vibrio cholerae)
PF00768
(Peptidase_S11)
PF07943
(PBP5_C)
4 TYR A 182
ALA A 190
ALA A 256
MET A 259
None
0.85A 3d91A-5tr7A:
undetectable
3d91A-5tr7A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ux2 ALDEHYDE
DECARBONYLASE


(Synechococcus
sp. RS9917)
no annotation 4 ALA A  77
ALA A  14
TYR A  15
MET A 187
None
1.29A 3d91A-5ux2A:
undetectable
3d91A-5ux2A:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2j RNAP2

(Escherichia
virus N4)
no annotation 4 ALA B  73
ALA B 402
TYR B 401
MET B   1
None
1.23A 3d91A-6c2jB:
undetectable
3d91A-6c2jB:
13.44
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN


(Agrobacterium
tumefaciens)
no annotation 4 TYR D 439
ALA D 407
ALA D 419
TYR D 615
None
1.17A 3d91A-6eq8D:
undetectable
3d91A-6eq8D:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E


(Bacteroides
thetaiotaomicron)
no annotation 4 TYR A 396
ALA A 466
ALA A 421
MET A 368
None
1.03A 3d91A-6f91A:
undetectable
3d91A-6f91A:
13.44
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.
6g3d ARGININOSUCCINATE
LYASE


(Chelativorans
sp. BNC1)
no annotation 4 ALA A 256
ALA A 270
TYR A 267
MET A 154
None
1.27A 3d91A-6g3dA:
undetectable
3d91A-6g3dA:
12.20
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.
6gng -

(-)
no annotation 4 TYR A 384
ALA A 406
ALA A 424
TYR A 426
None
1.29A 3d91A-6gngA:
undetectable
3d91A-6gngA:
undetectable