SIMILAR PATTERNS OF AMINO ACIDS FOR 3D91_B_REMB350

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
 1.02A 3d91B-1b5fA:
27.9		 3d91B-1b5fA:
34.51
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
 0.86A 3d91B-1cziE:
43.1		 3d91B-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) 		6 GLN E  13
ASP E  32
GLY E  34
THR E  77
ASP E 215
SER E 219
 None
 0.64A 3d91B-1cziE:
43.1		 3d91B-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
 0.75A 3d91B-1cziE:
43.1		 3d91B-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.
1ftp MUSCLE FATTY ACID
BINDING PROTEIN

(Schistocerca
gregaria) 		PF00061
(Lipocalin) 		5 ASP A  78
GLY A  79
VAL A  26
SER A  84
HIS A  96
 None
 1.22A 3d91B-1ftpA:
undetectable		 3d91B-1ftpA:
17.52
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.
1g7e ENDOPLASMIC
RETICULUM PROTEIN
ERP29

(Rattus
norvegicus) 		PF07912
(ERp29_N) 		5 GLN A  70
SER A  80
VAL A 136
LEU A  41
ALA A  38
 None
 1.25A 3d91B-1g7eA:
undetectable		 3d91B-1g7eA:
16.47
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 434
ASP A 435
ALA A 410
SER A 409
SER A 427
 None
 1.27A 3d91B-1gycA:
undetectable		 3d91B-1gycA:
21.07
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
 0.88A 3d91B-1htrB:
35.2		 3d91B-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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
LEU A  23
ASP A  25
ALA A  28
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
 0.74A 3d91B-1hvcA:
10.4		 3d91B-1hvcA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
LEU A  23
ASP A  25
ALA A  28
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
 0.72A 3d91B-1hvcA:
10.4		 3d91B-1hvcA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLN A  21
GLY A  50
LEU A  10
ASP A  12
ALA A  15
 None
 1.12A 3d91B-1i2dA:
undetectable		 3d91B-1i2dA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		5 ASP A 218
GLY A 220
VAL A 216
ASP A  32
SER A  36
 None
 0.88A 3d91B-1j71A:
36.0		 3d91B-1j71A:
27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kn6 PROHORMONE
CONVERTASE 1

(Mus musculus) 		PF16470
(S8_pro-domain) 		5 GLN A  16
ASP A  66
VAL A  69
ALA A  21
SER A  20
 None
 1.21A 3d91B-1kn6A:
undetectable		 3d91B-1kn6A:
15.09
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
 0.87A 3d91B-1mppA:
37.3		 3d91B-1mppA:
31.02
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) 		5 ASP E  32
GLY E  34
THR E  77
ASP E 215
SER E 219
 HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.0A)
 0.46A 3d91B-1qrpE:
44.5		 3d91B-1qrpE:
38.62
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) 		5 ASP E  32
GLY E  34
THR E  77
VAL E  30
ASP E 215
 HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 ( 4.7A)
HH0  E 327 (-2.5A)
 1.07A 3d91B-1qrpE:
44.5		 3d91B-1qrpE:
38.62
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
VAL A 120
ASP A 215
SER A 219
SER A 222
HIS A 287
 None
 0.44A 3d91B-1smrA:
50.9		 3d91B-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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 GLY A 302
SER A 247
THR A 246
VAL A 331
ALA A 310
 None
 1.28A 3d91B-1t1uA:
undetectable		 3d91B-1t1uA:
21.19
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLN A 315
GLY A 162
VAL A 189
ASP A 141
SER A 319
 None
 1.04A 3d91B-1v6aA:
undetectable		 3d91B-1v6aA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 ASP A 212
GLY A 214
LEU A  30
ASP A  32
SER A  36
 None
 0.82A 3d91B-1wkrA:
36.6		 3d91B-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.
2aee OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Streptococcus
pyogenes) 		PF00156
(Pribosyltran) 		5 GLY A 129
THR A 153
VAL A 148
ALA A 159
SER A 160
 SO4  A 501 (-3.8A)
None
None
None
None
 1.05A 3d91B-2aeeA:
undetectable		 3d91B-2aeeA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLN A 211
ASP A 234
VAL A 235
LEU A 249
ALA A 302
 None
FE2  A1350 (-2.6A)
NAR  A1352 (-3.8A)
AKG  A1351 ( 4.0A)
AKG  A1351 ( 3.9A)
 1.17A 3d91B-2brtA:
undetectable		 3d91B-2brtA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		5 ASP A  55
GLY A  58
SER A 291
LEU A 303
ALA A 249
 None
 0.85A 3d91B-2bwpA:
undetectable		 3d91B-2bwpA:
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.
2d4p HYPOTHETICAL PROTEIN
TTHA1254

(Thermus
thermophilus) 		PF09390
(DUF1999) 		5 THR A  66
VAL A  23
LEU A  76
ALA A  50
SER A  37
 None
 1.15A 3d91B-2d4pA:
undetectable		 3d91B-2d4pA:
18.21
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.
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
 0.89A 3d91B-2ewyA:
35.1		 3d91B-2ewyA:
27.91
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 ASP A 241
GLY A 243
VAL A 344
LEU A  46
ASP A  48
 DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
None
DBO  A1001 (-2.7A)
 1.01A 3d91B-2ewyA:
35.1		 3d91B-2ewyA:
27.91
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.
2fy2 CHOLINE
O-ACETYLTRANSFERASE

(Homo sapiens) 		PF00755
(Carn_acyltransf) 		5 GLY A 292
SER A 237
THR A 236
VAL A 321
ALA A 300
 None
 1.25A 3d91B-2fy2A:
undetectable		 3d91B-2fy2A:
21.42
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
THR A  80
VAL A  31
LEU A 219
ASP A 221
SER A 228
 4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
4IG  A 885 (-4.3A)
None
4IG  A 885 (-2.6A)
None
 1.36A 3d91B-2g1sA:
53.6		 3d91B-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) 		11 GLN A  14
ASP A  33
GLY A  35
SER A  79
THR A  80
VAL A 122
LEU A 219
ASP A 221
ALA A 224
SER A 225
SER A 228
 4IG  A 885 (-3.2A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.4A)
None
4IG  A 885 (-2.6A)
4IG  A 885 ( 4.7A)
4IG  A 885 (-3.1A)
None
 0.55A 3d91B-2g1sA:
53.6		 3d91B-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.
2ger PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1

(Homo sapiens) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLN A  10
GLY A   4
SER A  33
LEU A  66
ALA A  69
 None
 1.26A 3d91B-2gerA:
undetectable		 3d91B-2gerA:
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.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
VAL A  30
LEU A 216
ASP A 218
 None
 1.17A 3d91B-2h6tA:
34.4		 3d91B-2h6tA:
27.96
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 ASP A 257
GLY A 259
THR A 364
ALA A 335
SER A 424
 NA  A3002 ( 3.1A)
None
None
SO4  A 492 (-4.2A)
None
 1.29A 3d91B-2hb6A:
undetectable		 3d91B-2hb6A:
23.11
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.
2hdi COLICIN I RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 138
SER A 452
SER A 146
SER A 395
HIS A 393
 None
 1.09A 3d91B-2hdiA:
undetectable		 3d91B-2hdiA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5p GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Kluyveromyces
marxianus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY O 131
SER O 289
THR O 290
VAL O 262
ALA O 155
 None
 1.14A 3d91B-2i5pO:
undetectable		 3d91B-2i5pO:
21.90
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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		5 ASP A 111
GLY A 114
SER A 119
VAL A  85
ALA A  21
 None
 1.15A 3d91B-2pwjA:
undetectable		 3d91B-2pwjA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 3d91B-2q42A:
undetectable		 3d91B-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
 0.86A 3d91B-2rmpA:
38.0		 3d91B-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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A1243
THR A1251
LEU A1286
ALA A1280
SER A1301
 None
 1.29A 3d91B-2vdcA:
undetectable		 3d91B-2vdcA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		5 ASP A  88
GLY A  24
VAL A 102
ALA A  61
SER A  60
 None
 1.18A 3d91B-2wedA:
38.0		 3d91B-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.
3bxa FAR-RED FLUORESCENT
PROTEIN MKATE

(Entacmaea
quadricolor) 		PF01353
(GFP) 		5 GLN A 134
GLY A 139
VAL A 165
ASP A  56
ALA A  54
 None
 1.18A 3d91B-3bxaA:
undetectable		 3d91B-3bxaA:
22.29
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.
3e3u PEPTIDE DEFORMYLASE

(Mycobacterium
tuberculosis) 		PF01327
(Pep_deformylase) 		5 GLY A  58
SER A 108
VAL A   4
ALA A  53
HIS A 148
 None
None
NVC  A 202 (-4.6A)
None
NI  A 200 ( 3.2A)
 1.20A 3d91B-3e3uA:
undetectable		 3d91B-3e3uA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 GLN A 149
GLY A 138
SER A  42
VAL A  12
LEU A 296
 None
 1.16A 3d91B-3euaA:
undetectable		 3d91B-3euaA:
23.77
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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		5 GLY A 348
SER A 355
VAL A 124
ALA A 362
SER A 361
 None
None
ADP  A 501 (-3.7A)
None
None
 1.09A 3d91B-3ez6A:
undetectable		 3d91B-3ez6A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 GLN A 176
GLY A 121
SER A 341
THR A 342
VAL A  74
 None
 1.26A 3d91B-3hjrA:
undetectable		 3d91B-3hjrA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 SER A 113
THR A  60
VAL A  34
LEU A 157
ALA A  86
 None
 1.26A 3d91B-3kzvA:
undetectable		 3d91B-3kzvA:
20.11
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 GLY A  51
VAL A  47
LEU A  19
ALA A  54
SER A 133
 None
 1.26A 3d91B-3mmlA:
undetectable		 3d91B-3mmlA:
22.01
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
ALA B 229
SER B 230
SER B 233
HIS B 301
 None
 0.37A 3d91B-3oadB:
28.1		 3d91B-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.
3oe7 ATP SYNTHASE SUBUNIT
GAMMA

(Saccharomyces
cerevisiae) 		PF00231
(ATP-synt) 		5 GLN G 117
ASP G  80
GLY G 132
SER G 129
THR G 109
 None
 1.23A 3d91B-3oe7G:
undetectable		 3d91B-3oe7G:
21.47
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A 242
GLY A 243
SER A 218
THR A 219
ASP A 244
 None
 1.22A 3d91B-3pdkA:
undetectable		 3d91B-3pdkA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qpd CUTINASE 1

(Aspergillus
oryzae) 		PF01083
(Cutinase) 		5 THR A 129
VAL A  79
ALA A  47
SER A  48
HIS A 194
 SEP  A 126 ( 2.9A)
None
SEP  A 126 ( 3.9A)
SEP  A 126 ( 2.6A)
SEP  A 126 ( 4.1A)
 1.27A 3d91B-3qpdA:
undetectable		 3d91B-3qpdA:
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.
3rwa FLUORESCENT PROTEIN
FP480

(Entacmaea
quadricolor) 		PF01353
(GFP) 		5 GLN A 204
GLY A 209
VAL A 235
ASP A 126
ALA A 124
 None
 1.18A 3d91B-3rwaA:
undetectable		 3d91B-3rwaA:
21.81
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 GLY A 319
SER A 323
THR A 326
VAL A 338
ASP A 254
 None
 1.25A 3d91B-3sutA:
undetectable		 3d91B-3sutA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		5 GLN A 128
GLY A  80
ASP A  81
ALA A 115
SER A 168
 None
None
None
SQS  A 401 ( 4.8A)
SQS  A 401 (-3.1A)
 1.19A 3d91B-3vzbA:
undetectable		 3d91B-3vzbA:
17.65
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-4

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 GLN K 190
GLY K   5
THR K  34
VAL K 178
LEU K 115
 None
 1.13A 3d91B-3wxrK:
undetectable		 3d91B-3wxrK:
20.00
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
 1.04A 3d91B-4aa9A:
39.1		 3d91B-4aa9A:
36.81
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		5 GLN A 234
GLY A 179
THR A 251
LEU A 192
ALA A 239
 None
 1.22A 3d91B-4akkA:
undetectable		 3d91B-4akkA:
22.49
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) 		8 ASP A  81
GLY A  83
VAL A 170
LEU A 267
ASP A 269
ALA A 272
SER A 273
SER A 276
 None
None
None
None
None
SO4  A1387 (-3.4A)
SO4  A1387 (-3.8A)
None
 0.57A 3d91B-4amtA:
44.2		 3d91B-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) 		8 GLN A  62
ASP A  81
GLY A  83
LEU A 267
ASP A 269
ALA A 272
SER A 273
SER A 276
 None
None
None
None
None
SO4  A1387 (-3.4A)
SO4  A1387 (-3.8A)
None
 1.35A 3d91B-4amtA:
44.2		 3d91B-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) 		8 GLN A  62
ASP A  81
GLY A  83
VAL A  79
LEU A 267
ASP A 269
ALA A 272
SER A 276
 None
None
None
None
None
None
SO4  A1387 (-3.4A)
None
 1.33A 3d91B-4amtA:
44.2		 3d91B-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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 GLN A 297
ASP A 229
LEU A 346
ALA A 299
SER A 302
 None
 1.20A 3d91B-4bbwA:
undetectable		 3d91B-4bbwA:
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 363
GLY A 377
VAL A 323
LEU A 413
ALA A  22
 None
 1.28A 3d91B-4epaA:
undetectable		 3d91B-4epaA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 GLY A 201
SER A 213
THR A 214
VAL A 229
HIS A 250
 None
 1.30A 3d91B-4i93A:
undetectable		 3d91B-4i93A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 558
SER A 562
THR A 563
VAL A 544
LEU A 210
 None
MPD  A 613 ( 4.3A)
None
None
None
 1.23A 3d91B-4ksiA:
undetectable		 3d91B-4ksiA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 GLY A 174
VAL A 125
ALA A 179
SER A 180
SER A 165
 None
 1.24A 3d91B-4lvuA:
undetectable		 3d91B-4lvuA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxd ALLANTOATE
AMIDOHYDROLASE

(Escherichia
coli) 		PF01546
(Peptidase_M20) 		5 GLN A 110
GLY A 396
LEU A 189
ALA A 103
SER A  78
 None
 1.28A 3d91B-4pxdA:
undetectable		 3d91B-4pxdA:
20.74
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.
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
 0.72A 3d91B-4rcdA:
34.3		 3d91B-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) 		6 ASP A 228
GLY A 230
THR A  72
VAL A 332
LEU A  30
ASP A  32
 3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
 1.06A 3d91B-4rcdA:
34.3		 3d91B-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.
4rsm PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 254
SER A  46
VAL A 314
LEU A 229
ASP A 253
 None
 1.27A 3d91B-4rsmA:
undetectable		 3d91B-4rsmA:
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.
4rsx TYPE III EFFECTOR
HOPA1

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 GLN A 233
GLY A 368
SER A 340
LEU A 364
SER A 316
 None
 1.26A 3d91B-4rsxA:
undetectable		 3d91B-4rsxA:
19.77
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A 211
GLY A 213
VAL A 209
ASP A  32
SER A  36
 None
 0.92A 3d91B-4y9wA:
34.6		 3d91B-4y9wA:
27.61
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLN A 133
ASP A  98
GLY A  96
VAL A  65
LEU A 116
 None
S4M  A 301 (-3.1A)
S4M  A 301 ( 4.6A)
None
None
 1.24A 3d91B-4yv2A:
undetectable		 3d91B-4yv2A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLY A 415
VAL A 175
LEU A 447
ASP A 446
ALA A 200
 None
None
CL  A 517 ( 4.7A)
None
None
 1.24A 3d91B-4zpjA:
undetectable		 3d91B-4zpjA:
23.25
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		5 ASP A 142
GLY A 199
VAL A 145
SER A 262
HIS A 263
 None
None
None
None
ZN  A1307 (-3.2A)
 1.23A 3d91B-5aebA:
undetectable		 3d91B-5aebA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 3d91B-5ao8A:
undetectable		 3d91B-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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 GLN C  41
GLY C  62
THR C  46
VAL C  13
LEU C  83
 None
 1.25A 3d91B-5b04C:
undetectable		 3d91B-5b04C:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		5 GLN A  71
ASP A  91
GLY A  92
ASP A 134
ALA A  20
 None
ACT  A 301 (-2.8A)
ACT  A 301 ( 4.8A)
None
K  A 300 ( 4.8A)
 1.26A 3d91B-5bmoA:
undetectable		 3d91B-5bmoA:
21.55
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.
5bql FLUORESCENT PROTEIN
CYOFP

(Escherichia
coli) 		PF01353
(GFP) 		5 GLN A 138
GLY A 143
VAL A 169
ASP A  60
ALA A  58
 None
 1.14A 3d91B-5bqlA:
undetectable		 3d91B-5bqlA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e5m CYTOTOXIC
T-LYMPHOCYTE PROTEIN
4
MOUSE ANTI CTLA-4
NANOBODY

(Mus musculus) 		PF07686
(V-set) 		5 GLY B 101
VAL B   4
LEU A  96
ALA B  35
SER B  53
 None
 1.27A 3d91B-5e5mB:
undetectable		 3d91B-5e5mB:
15.74
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.
5ffp IMMUNITY 23 FAMILY
PROTEIN

(Burkholderia
dolosa) 		PF15593
(Imm42) 		5 SER A  40
LEU A  45
ASP A  48
ALA A 102
SER A 101
 None
 1.19A 3d91B-5ffpA:
undetectable		 3d91B-5ffpA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5has SEC7

(Thielavia
terrestris) 		PF12783
(Sec7_N)
PF16213
(DCB) 		5 ASP A 308
GLY A 139
SER A 269
VAL A 176
ALA A 304
 None
 1.19A 3d91B-5hasA:
undetectable		 3d91B-5hasA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j04 ENOLASE

(Synechococcus
elongatus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLN A 291
ASP A 314
ASP A 246
ALA A 248
SER A 249
 None
MG  A 502 ( 3.4A)
MG  A 502 ( 2.9A)
None
None
 1.19A 3d91B-5j04A:
undetectable		 3d91B-5j04A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0w CLASS B
CARBAPENEMASE GOB-18

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		5 ASP A 124
GLY A 178
VAL A 127
SER A 240
HIS A 241
 None
None
None
None
ZN  A 301 (-3.3A)
 1.24A 3d91B-5k0wA:
undetectable		 3d91B-5k0wA:
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 ASP A 136
GLY A 133
SER A  27
VAL A 112
ALA A 131
 None
 1.27A 3d91B-5karA:
undetectable		 3d91B-5karA:
19.63
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.
5knm LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF13895
(Ig_2) 		5 GLY D  97
SER D 189
VAL D  15
ALA D 176
SER D 124
 None
 1.16A 3d91B-5knmD:
undetectable		 3d91B-5knmD:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 SER b  18
THR b   3
LEU b 459
ALA b 469
SER b 471
 None
 1.13A 3d91B-5l9wb:
undetectable		 3d91B-5l9wb:
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa)
PF01058
(Oxidored_q6) 		5 GLY D 426
THR B  91
VAL D  61
LEU D 106
ASP D 429
 None
 1.27A 3d91B-5lc5D:
undetectable		 3d91B-5lc5D:
21.08
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 5 GLY H  31
VAL H 202
ALA H  26
SER H 117
SER H  61
 None
 1.11A 3d91B-5lp7H:
undetectable		 3d91B-5lp7H:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 ASP A  81
GLY A  83
ASP A 266
SER A 270
SER A 273
 None
 0.77A 3d91B-5mlgA:
45.7		 3d91B-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
VAL A 170
ASP A 266
SER A 273
 None
 0.51A 3d91B-5mlgA:
45.7		 3d91B-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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ASP A 181
GLY A 183
LEU A 297
ALA A 177
SER A 178
 None
 1.23A 3d91B-5nagA:
undetectable		 3d91B-5nagA:
21.02
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) 		5 ASP A  32
GLY A  34
THR A  77
ASP A 215
SER A 219
 None
 0.50A 3d91B-5pepA:
44.5		 3d91B-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.
5ukg K-GECO

(Entacmaea
quadricolor) 		no annotation 5 GLN A 256
GLY A 261
VAL A  54
ASP A 178
ALA A 176
 None
 1.14A 3d91B-5ukgA:
undetectable		 3d91B-5ukgA:
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 5 GLN A  14
ASP A  33
GLY A  35
ASP A 226
SER A 230
 None
3UT  A 404 (-2.9A)
3UT  A 404 (-3.5A)
3UT  A 404 (-2.4A)
3UT  A 404 ( 3.8A)
 0.43A 3d91B-5ux4A:
46.9		 3d91B-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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Saccharomyces
cerevisiae) 		PF13401
(AAA_22)
PF14630
(ORC5_C)
no annotation 		5 GLY E 252
SER E  39
VAL E 197
ALA E 257
SER C 254
 None
 1.11A 3d91B-5v8fE:
undetectable		 3d91B-5v8fE:
21.53
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.
5wat HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 GLN A 237
ASP A  27
ASP A 139
ALA A  20
SER A  18
 None
PO4  A 403 (-3.7A)
None
PO4  A 403 ( 4.4A)
None
 1.15A 3d91B-5watA:
undetectable		 3d91B-5watA:
15.24
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.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 5 GLY A 384
LEU A 406
ASP A 383
ALA A 416
SER A 415
 None
 1.23A 3d91B-5y09A:
undetectable		 3d91B-5y09A:
22.60
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 5 ASP A  80
GLY A  82
VAL A 188
LEU A 311
ASP A 313
 EQG  A 504 (-2.5A)
EQG  A 504 (-3.0A)
None
EQG  A 504 ( 4.2A)
EQG  A 504 (-2.1A)
 0.57A 3d91B-6c4gA:
33.8		 3d91B-6c4gA:
14.11
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 GLN A 238
ASP A  27
ASP A 143
ALA A  20
SER A  18
 None
 1.15A 3d91B-6cyzA:
undetectable		 3d91B-6cyzA:
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.
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
 0.71A 3d91B-6ej2A:
33.8		 3d91B-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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 ASP A 637
GLY A 639
VAL A 741
LEU A 439
ASP A 441
 B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
 0.79A 3d91B-6ej2A:
33.8		 3d91B-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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 VAL A 488
TYR A 537
PRO A 540
PHE A 465
 None
 1.48A 3d91B-1dgjA:
0.0		 3d91B-1dgjA:
16.45
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.
1et6 SUPERANTIGEN SMEZ-2

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 VAL A  83
TYR A  86
PRO A  72
PHE A  46
 None
 1.44A 3d91B-1et6A:
0.0		 3d91B-1et6A:
19.45
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		4 VAL A 665
TYR A 813
PRO A 818
PHE A 618
 None
 1.32A 3d91B-1no7A:
0.0		 3d91B-1no7A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 VAL A 111
TYR A 181
PRO A  82
PHE A 115
 None
 1.33A 3d91B-1vkhA:
0.0		 3d91B-1vkhA:
20.69
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 VAL A  31
TYR A  78
PRO A 113
PHE A 119
 4IG  A 885 (-4.3A)
4IG  A 885 (-4.0A)
4IG  A 885 (-4.7A)
None
 0.57A 3d91B-2g1sA:
53.6		 3d91B-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.
2ozh HYPOTHETICAL PROTEIN
XCC2953

(Xanthomonas
campestris) 		PF13508
(Acetyltransf_7) 		4 VAL A  61
TYR A  65
PRO A  97
PHE A  47
 None
 1.41A 3d91B-2ozhA:
0.0		 3d91B-2ozhA:
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.
3ceg BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00179
(UQ_con) 		4 VAL A4625
TYR A4699
PRO A4592
PHE A4627
 None
 1.23A 3d91B-3cegA:
0.0		 3d91B-3cegA:
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		4 VAL A 284
TYR A 266
PRO A  32
PHE A  37
 None
 1.32A 3d91B-3lm6A:
0.0		 3d91B-3lm6A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)

(Bacillus
licheniformis) 		PF07451
(SpoVAD) 		4 VAL A 284
TYR A 266
PRO A  32
PHE A  37
 None
 1.30A 3d91B-3lmaA:
0.0		 3d91B-3lmaA:
22.08
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		4 VAL A 299
TYR A 237
PRO A 223
PHE A 297
 None
GOL  A 364 (-4.2A)
None
GOL  A 364 (-4.9A)
 1.40A 3d91B-3rpwA:
undetectable		 3d91B-3rpwA:
20.91
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.
4ebz CHITIN ELICITOR
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF01476
(LysM) 		4 VAL A 199
TYR A 209
PRO A 211
PHE A 201
 None
 1.44A 3d91B-4ebzA:
undetectable		 3d91B-4ebzA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		4 VAL A 138
TYR A 447
PRO A 408
PHE A 139
 None
 1.35A 3d91B-4gysA:
undetectable		 3d91B-4gysA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		4 VAL A 251
TYR A 246
PRO A 183
PHE A 208
 None
 1.37A 3d91B-4q6tA:
undetectable		 3d91B-4q6tA:
23.24
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.
4u6b CONSERVED
HYPOTHETICAL
LIPOPROTEIN

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		4 VAL A 233
TYR A 195
PRO A 252
PHE A 293
 None
 1.50A 3d91B-4u6bA:
undetectable		 3d91B-4u6bA:
22.20
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.
4u6d CONSERVED
HYPOTHETICAL
PERIPLASMIC PROTEIN

(Zobellia
galactanivorans) 		no annotation 4 VAL A 215
TYR A 177
PRO A 234
PHE A 271
 None
EDO  A 512 ( 4.9A)
None
None
 1.45A 3d91B-4u6dA:
undetectable		 3d91B-4u6dA:
21.83
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.
5hd9 ENCAPSIDATION
PROTEIN

(Bacillus virus
phi29) 		PF05894
(Podovirus_Gp16) 		4 VAL A  80
TYR A  51
PRO A  38
PHE A  66
 None
 1.24A 3d91B-5hd9A:
undetectable		 3d91B-5hd9A:
18.84
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 VAL A 122
TYR A 157
PRO A 189
PHE A 103
 None
 1.43A 3d91B-5infA:
undetectable		 3d91B-5infA:
21.89
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 VAL A 946
TYR A1365
PRO A 955
PHE A 947
 None
 1.31A 3d91B-5ip9A:
undetectable		 3d91B-5ip9A:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ejb XYLOSYLTRANSFERASE 1

(Homo sapiens) 		no annotation 4 VAL A 839
TYR A 867
PRO A 810
PHE A 837
 None
 1.28A 3d91B-6ejbA:
undetectable		 3d91B-6ejbA:
12.61