SIMILAR PATTERNS OF AMINO ACIDS FOR 3D91_A_REMA350_1

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