SIMILAR PATTERNS OF AMINO ACIDS FOR 3GYQ_B_SAMB270_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axi GROWTH HORMONE
RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		5 GLY B 148
ILE B 153
SER B 201
LEU B 202
VAL B 204
 SO4  B 237 (-3.3A)
None
None
None
None
 1.06A 3gyqB-1axiB:
undetectable		 3gyqB-1axiB:
18.89
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.
1axi GROWTH HORMONE
RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		5 LEU B 141
ILE B 153
SER B 201
LEU B 202
VAL B 204
 None
 1.10A 3gyqB-1axiB:
undetectable		 3gyqB-1axiB:
18.89
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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 LEU A 145
ALA A 140
ILE A 142
SER A 137
LEU A 138
 None
 1.23A 3gyqB-1ex9A:
2.2		 3gyqB-1ex9A:
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 328
ALA B 318
GLY B 315
ILE B 325
LEU B 403
 None
 1.13A 3gyqB-1ffvB:
undetectable		 3gyqB-1ffvB:
16.88
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 196
ILE A 216
MET A 218
LEU A 225
VAL A 227
 None
 0.90A 3gyqB-1gz0A:
21.7		 3gyqB-1gz0A:
29.07
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 ILE A 216
MET A 218
SER A 224
LEU A 225
VAL A 227
 None
 0.54A 3gyqB-1gz0A:
21.7		 3gyqB-1gz0A:
29.07
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.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 GLY A 215
ILE A 235
MET A 237
SER A 243
LEU A 244
VAL A 246
SER A 249
 None
 0.85A 3gyqB-1ipaA:
19.1		 3gyqB-1ipaA:
27.60
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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 GLY A 100
ILE A 122
MET A 124
SER A 130
SER A 136
 None
 0.95A 3gyqB-1j85A:
16.3		 3gyqB-1j85A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A 158
GLY A 115
ILE A 127
LEU A 154
SER A 123
 None
 1.13A 3gyqB-1m54A:
undetectable		 3gyqB-1m54A:
23.31
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.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF01380
(SIS) 		5 ALA A 372
GLY A 358
ILE A 344
SER A 347
LEU A 346
 None
None
None
G6P  A 609 (-2.8A)
None
 1.24A 3gyqB-1morA:
2.6		 3gyqB-1morA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ou0 PRECORRIN-8X
METHYLMUTASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF02570
(CbiC) 		5 ALA A 171
GLY A 187
MET A 145
LEU A 175
SER A 184
 None
 1.22A 3gyqB-1ou0A:
undetectable		 3gyqB-1ou0A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t33 PUTATIVE
TRANSCRIPTIONAL
REPRESSOR (TETR/ACRR
FAMILY)

(Salmonella
enterica) 		PF00440
(TetR_N)
PF09209
(DUF1956) 		5 LEU A  22
ALA A  20
GLY A  26
ILE A  18
LEU A  58
 None
 1.20A 3gyqB-1t33A:
undetectable		 3gyqB-1t33A:
22.18
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 GLY A 122
ILE A 142
MET A 144
SER A 150
LEU A 151
VAL A 153
 SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.9A)
 0.52A 3gyqB-1v2xA:
17.8		 3gyqB-1v2xA:
23.83
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.
1vk1 CONSERVED
HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF02195
(ParBc) 		5 ALA A  85
ILE A  21
MET A  26
LEU A  56
VAL A  88
 None
 1.20A 3gyqB-1vk1A:
undetectable		 3gyqB-1vk1A:
23.43
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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		5 GLY A 232
ILE A 252
MET A 254
SER A 260
LEU A 261
 SAM  A 301 (-3.2A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.1A)
 0.88A 3gyqB-1x7pA:
21.2		 3gyqB-1x7pA:
27.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 ALA A 217
GLY A 224
ILE A 190
SER A 131
LEU A 132
 None
 0.81A 3gyqB-1yt8A:
undetectable		 3gyqB-1yt8A:
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LEU A 108
ALA A  99
GLY A 105
SER A  88
LEU A  87
 None
 1.25A 3gyqB-1z05A:
undetectable		 3gyqB-1z05A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6y ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
5

(Homo sapiens) 		PF00025
(Arf) 		5 LEU A  24
GLY A  28
ILE A  99
SER A  93
VAL A  90
 None
GDP  A 180 (-3.2A)
None
None
None
 1.18A 3gyqB-1z6yA:
undetectable		 3gyqB-1z6yA:
20.43
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 GLY A 126
ILE A 146
MET A 148
SER A 154
LEU A 155
VAL A 157
 GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
 0.67A 3gyqB-1zjrA:
16.9		 3gyqB-1zjrA:
23.67
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.
2cs8 KIAA0535 PROTEIN

(Homo sapiens) 		PF01530
(zf-C2HC) 		5 LEU A  91
ALA A  93
GLY A  74
SER A  87
LEU A  86
 None
 1.17A 3gyqB-2cs8A:
undetectable		 3gyqB-2cs8A:
17.62
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.
2d04 CURCULIN

(Molineria
latifolia) 		PF01453
(B_lectin) 		5 LEU B  86
GLY B  98
LYS B  83
SER B  58
LEU B  57
 None
 1.05A 3gyqB-2d04B:
undetectable		 3gyqB-2d04B:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 LEU A 327
ALA A 322
GLY A 168
ILE A 323
SER A 207
 None
 1.24A 3gyqB-2drhA:
undetectable		 3gyqB-2drhA:
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.
2e21 TRNA(ILE)-LYSIDINE
SYNTHASE

(Aquifex
aeolicus) 		PF01171
(ATP_bind_3) 		5 LEU A  58
ALA A  30
ILE A  29
LEU A  40
VAL A  38
 None
ANP  A 500 (-3.0A)
None
None
None
 1.10A 3gyqB-2e21A:
undetectable		 3gyqB-2e21A:
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A  96
GLY A 253
ILE A 375
VAL A 186
SER A 189
 None
 1.24A 3gyqB-2fafA:
undetectable		 3gyqB-2fafA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 GLY A 253
ILE A 375
LEU A 188
VAL A 186
SER A 189
 None
 1.11A 3gyqB-2fafA:
undetectable		 3gyqB-2fafA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  36
GLY A 297
ILE A  37
SER A  94
VAL A  52
 None
 1.21A 3gyqB-2gdqA:
undetectable		 3gyqB-2gdqA:
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		6 GLY A 129
ILE A 149
SER A 157
LEU A 158
VAL A 160
SER A 163
 SAH  A 401 (-3.1A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.0A)
 0.42A 3gyqB-2ha8A:
18.4		 3gyqB-2ha8A:
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		5 ALA A 205
GLY A 267
ILE A 204
VAL A 253
SER A 256
 None
 1.09A 3gyqB-2p9bA:
undetectable		 3gyqB-2p9bA:
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.
2pkp HOMOACONITASE SMALL
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 LEU A 147
ALA A 149
ILE A 146
LEU A 152
VAL A  98
 None
 1.16A 3gyqB-2pkpA:
undetectable		 3gyqB-2pkpA:
20.22
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.
2qqo NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 LEU A 467
ALA A 465
GLY A 439
SER A 463
SER A 469
 None
 0.92A 3gyqB-2qqoA:
undetectable		 3gyqB-2qqoA:
21.88
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 LEU A  39
ALA A 311
MET A 267
LEU A 307
VAL A 305
 None
 0.97A 3gyqB-2wpgA:
2.7		 3gyqB-2wpgA:
17.31
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.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		5 LEU A 175
ALA A 169
ILE A 151
SER A 167
LEU A 132
 None
 1.21A 3gyqB-2xa7A:
undetectable		 3gyqB-2xa7A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 LEU A 162
ALA A 213
GLY A 141
ILE A 163
LEU A 165
 None
 1.23A 3gyqB-2z5lA:
undetectable		 3gyqB-2z5lA:
21.38
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 ALA A 253
GLY A 263
SER A 270
LEU A 110
SER A 114
 None
 1.06A 3gyqB-2zm2A:
undetectable		 3gyqB-2zm2A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bg1 PROTEIN SEC13
HOMOLOG

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 210
GLY A 238
ILE A 191
VAL A 240
SER A 233
 None
 1.04A 3gyqB-3bg1A:
undetectable		 3gyqB-3bg1A:
23.46
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.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		5 ALA X 113
GLY X 141
ILE X 161
LEU X 170
VAL X 172
 SAM  X5452 (-3.5A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
 0.52A 3gyqB-3dcmX:
14.3		 3gyqB-3dcmX:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		8 GLY A 218
LYS A 221
ILE A 238
MET A 240
SER A 246
LEU A 247
VAL A 249
SER A 252
 SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
SAM  A 270 ( 4.2A)
SAM  A 270 (-3.1A)
 0.86A 3gyqB-3gyqA:
39.3		 3gyqB-3gyqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		10 LEU A 195
LYS A 196
ALA A 197
GLY A 218
LYS A 221
ILE A 238
MET A 240
LEU A 247
VAL A 249
SER A 252
 SAM  A 270 (-4.1A)
SAM  A 270 (-3.3A)
SAM  A 270 (-3.8A)
SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-4.4A)
SAM  A 270 ( 4.2A)
SAM  A 270 (-3.1A)
 0.43A 3gyqB-3gyqA:
39.3		 3gyqB-3gyqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 LYS A 196
ALA A 197
GLY A 223
ILE A 238
MET A 240
LEU A 247
 SAM  A 270 (-3.3A)
SAM  A 270 (-3.8A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-4.4A)
 1.38A 3gyqB-3gyqA:
39.3		 3gyqB-3gyqA:
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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 489
GLY A 494
ILE A 484
SER A 362
LEU A 365
 None
 1.10A 3gyqB-3hztA:
undetectable		 3gyqB-3hztA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A  12
ALA A 442
ILE A  10
LEU A  23
VAL A  33
 None
 1.20A 3gyqB-3ifrA:
undetectable		 3gyqB-3ifrA:
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.
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 372
GLY A 379
LYS A 361
ILE A 370
SER A 338
 None
 1.21A 3gyqB-3ijlA:
undetectable		 3gyqB-3ijlA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 LEU A  85
GLY A 123
ILE A 143
SER A 151
VAL A 154
 None
 0.94A 3gyqB-3ktyA:
17.4		 3gyqB-3ktyA:
22.26
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		5 LEU A 101
ALA A 103
GLY A 307
ILE A 106
VAL A 383
 None
None
None
None
TPQ  A 386 ( 4.4A)
 1.05A 3gyqB-3loyA:
undetectable		 3gyqB-3loyA:
18.28
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		5 LEU A  83
GLY A 105
ILE A 127
MET A 129
SER A 135
 SAH  A 201 (-4.1A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.3A)
 0.50A 3gyqB-3n4kA:
15.9		 3gyqB-3n4kA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 GLY A 218
ILE A 255
LEU A 247
VAL A 249
SER A 252
 SAM  A 770 (-3.0A)
None
SAM  A 770 (-4.5A)
SAM  A 770 (-3.7A)
SAM  A 770 (-3.1A)
 1.18A 3gyqB-3nk7A:
33.3		 3gyqB-3nk7A:
73.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		8 LEU A 195
GLY A 218
ILE A 238
MET A 240
SER A 246
LEU A 247
VAL A 249
SER A 252
 SAM  A 770 (-3.8A)
SAM  A 770 (-3.0A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-4.5A)
SAM  A 770 (-3.7A)
SAM  A 770 (-3.1A)
 0.39A 3gyqB-3nk7A:
33.3		 3gyqB-3nk7A:
73.53
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.
3qld MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 109
ILE A 110
SER A 106
LEU A  71
VAL A  68
 None
 0.99A 3gyqB-3qldA:
undetectable		 3gyqB-3qldA:
22.45
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 LEU A 347
ALA A 298
GLY A 327
ILE A 346
SER A 324
 None
 1.20A 3gyqB-3tbkA:
undetectable		 3gyqB-3tbkA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 LEU A 277
ALA A 272
ILE A 274
SER A 269
LEU A 270
 None
 1.23A 3gyqB-3thzA:
undetectable		 3gyqB-3thzA:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 230
GLY A  71
ILE A 229
SER A 334
LEU A 335
 None
CL  A 408 (-3.4A)
None
None
07L  A 411 (-3.4A)
 1.20A 3gyqB-3u0fA:
undetectable		 3gyqB-3u0fA:
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 LEU H 185
LYS H  40
ILE H  34
LEU H  14
VAL H 177
 None
 1.25A 3gyqB-3unfH:
undetectable		 3gyqB-3unfH:
23.21
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.
3vba ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
SMALL SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 LEU A 151
ALA A 153
ILE A 150
LEU A 156
VAL A 100
 None
 1.10A 3gyqB-3vbaA:
undetectable		 3gyqB-3vbaA:
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 LEU A 651
ALA A 653
GLY A 409
ILE A 650
SER A 416
 None
 1.13A 3gyqB-4av6A:
undetectable		 3gyqB-4av6A:
18.43
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		5 LEU A 717
GLY A 826
ILE A 729
LEU A 829
VAL A 828
 None
 1.15A 3gyqB-4c90A:
2.1		 3gyqB-4c90A:
15.04
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.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 ALA A 106
ILE A 104
SER A 152
LEU A 175
VAL A 177
 None
None
None
None
ADE  A 301 (-4.4A)
 0.98A 3gyqB-4daoA:
2.6		 3gyqB-4daoA:
25.09
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 ALA D 205
GLY D 160
ILE D 203
LEU D 277
VAL D 279
 None
 1.12A 3gyqB-4em6D:
undetectable		 3gyqB-4em6D:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 5 ALA A 291
GLY A 241
ILE A 289
LEU A 238
VAL A 239
 None
 1.10A 3gyqB-4fyeA:
undetectable		 3gyqB-4fyeA:
18.06
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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		5 ALA A 175
GLY A 178
ILE A 187
SER A  75
LEU A  74
 None
 1.14A 3gyqB-4hk9A:
undetectable		 3gyqB-4hk9A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hrt HEMOGLOBIN B CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		5 LEU B  38
ALA B  40
GLY B  33
LEU B  68
SER B  72
 None
 1.26A 3gyqB-4hrtB:
undetectable		 3gyqB-4hrtB:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 LEU A 525
ALA A 673
ILE A 526
LEU A 621
SER A 530
 None
 1.18A 3gyqB-4iglA:
undetectable		 3gyqB-4iglA:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 LEU A   6
ALA A   8
GLY A  50
ILE A   5
VAL A  48
 None
 1.12A 3gyqB-4j9vA:
3.1		 3gyqB-4j9vA:
23.58
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.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ALA A 185
GLY A 203
LEU A 243
VAL A 245
 None
None
ACY  A 302 (-3.9A)
None
None
 0.62A 3gyqB-4jwgA:
9.1		 3gyqB-4jwgA:
21.01
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ALA A 185
GLY A 203
LEU A 243
VAL A 245
 SAH  A 401 (-4.2A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.1A)
SAH  A 401 (-4.6A)
SAH  A 401 ( 4.8A)
 0.54A 3gyqB-4jwhA:
9.6		 3gyqB-4jwhA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 128
GLY A 315
ILE A 130
VAL A 318
SER A 310
 None
 1.25A 3gyqB-4m1zA:
2.2		 3gyqB-4m1zA:
24.47
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.
4n7r GLUTAMYL-TRNA
REDUCTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		5 LEU A 152
ALA A 138
GLY A 159
ILE A 232
VAL A  98
 None
 1.18A 3gyqB-4n7rA:
3.5		 3gyqB-4n7rA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 219
ILE A 220
SER A 213
LEU A 212
VAL A 210
 None
 1.25A 3gyqB-4nd4A:
3.5		 3gyqB-4nd4A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 LEU G 175
ALA G 169
ILE G 151
SER G 167
LEU G 132
 None
 1.07A 3gyqB-4neeG:
undetectable		 3gyqB-4neeG:
23.00
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.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 5 LEU B 219
GLY B 265
LYS B 269
ILE B 222
SER B 227
 None
 1.22A 3gyqB-4oouB:
undetectable		 3gyqB-4oouB:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A  78
GLY A 234
ILE A 356
VAL A 166
SER A 169
 None
 1.13A 3gyqB-4ox2A:
undetectable		 3gyqB-4ox2A:
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		5 LEU A 221
GLY A 156
ILE A 225
SER A  48
VAL A 281
 None
 1.12A 3gyqB-4p9kA:
undetectable		 3gyqB-4p9kA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		6 LEU A 221
ALA A 226
GLY A 156
ILE A 225
SER A  48
VAL A 281
 None
 1.46A 3gyqB-4pdhA:
undetectable		 3gyqB-4pdhA:
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		6 LEU A  79
GLY A 104
ILE A 125
MET A 127
SER A 133
LEU A 134
 SAH  A 201 (-4.0A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
SAH  A 201 (-4.2A)
 0.54A 3gyqB-4pzkA:
15.9		 3gyqB-4pzkA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdr NEUROPILIN-2

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 LEU A 467
ALA A 465
GLY A 439
SER A 463
SER A 469
 None
 1.02A 3gyqB-4qdrA:
undetectable		 3gyqB-4qdrA:
23.70
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 LEU A 150
ALA A 152
GLY A 144
ILE A 154
SER A 109
 None
 0.92A 3gyqB-4rctA:
undetectable		 3gyqB-4rctA:
23.42
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.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		5 LEU A 150
ALA A 152
ILE A 154
LEU A  33
SER A 109
 None
 1.23A 3gyqB-4rctA:
undetectable		 3gyqB-4rctA:
23.42
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.
4tkr THIAMINE TRANSPORTER
THIA

(Listeria
monocytogenes) 		PF09515
(Thia_YuaJ) 		5 GLY A 124
ILE A  40
SER A  36
VAL A 165
SER A 168
 None
None
TPP  A 301 (-2.9A)
None
None
 1.12A 3gyqB-4tkrA:
undetectable		 3gyqB-4tkrA:
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.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		6 GLY A 208
ILE A 228
MET A 230
SER A 236
LEU A 237
VAL A 239
 ADN  A 301 (-3.1A)
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
ADN  A 301 (-4.5A)
ADN  A 301 (-4.9A)
ADN  A 301 ( 4.2A)
 0.69A 3gyqB-4x3mA:
23.3		 3gyqB-4x3mA:
29.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x5n UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF04193
(PQ-loop) 		5 LEU A  70
ALA A  65
GLY A  46
ILE A  67
LEU A  63
 None
 1.12A 3gyqB-4x5nA:
undetectable		 3gyqB-4x5nA:
17.91
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A  27
GLY A  32
ILE A  26
SER A 290
VAL A 292
 GOL  A 501 ( 3.7A)
None
None
None
None
 1.22A 3gyqB-5bwiA:
undetectable		 3gyqB-5bwiA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 ALA B  81
GLY B 101
ILE B 120
MET B 122
SER B 128
LEU B 129
 MTA  B 401 (-3.7A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
 0.39A 3gyqB-5co4B:
17.1		 3gyqB-5co4B:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 ALA A 434
GLY A 465
SER A 436
VAL A 456
SER A 458
 None
 1.10A 3gyqB-5fsaA:
undetectable		 3gyqB-5fsaA:
21.34
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 LEU C 259
ALA C 284
GLY C 257
ILE C 287
SER C 250
 None
 1.09A 3gyqB-5fseC:
undetectable		 3gyqB-5fseC:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g53 ADENOSINE RECEPTOR
A2A

(Homo sapiens) 		PF00001
(7tm_1) 		5 ALA A  97
ILE A  98
SER A  94
LEU A  48
VAL A  46
 None
 0.89A 3gyqB-5g53A:
undetectable		 3gyqB-5g53A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		5 LEU A 149
ALA A 147
ILE A 145
LEU A 262
SER A 279
 None
 1.10A 3gyqB-5jj2A:
undetectable		 3gyqB-5jj2A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA A 169
GLY A 224
ILE A 170
SER A 157
LEU A 156
 None
 1.23A 3gyqB-5m2nA:
undetectable		 3gyqB-5m2nA:
16.88
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.
5o2x GLYCOSIDE HYDROLASE
FAMILY 61

(Trichoderma
reesei) 		PF03443
(Glyco_hydro_61) 		5 LEU A 133
GLY A 235
ILE A  90
SER A 231
VAL A 141
 None
None
None
MAN  A 311 (-1.4A)
MAN  A 313 ( 4.9A)
 1.18A 3gyqB-5o2xA:
undetectable		 3gyqB-5o2xA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 568
GLY A 475
ILE A 504
VAL A 483
SER A 484
 None
 1.16A 3gyqB-5t88A:
3.2		 3gyqB-5t88A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 LEU A 481
GLY A 475
ILE A 504
VAL A 483
SER A 484
 None
 1.22A 3gyqB-5t88A:
3.2		 3gyqB-5t88A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v13 AAEL008620-PA
ODORANT-BINDING
PROTEIN

(Aedes aegypti) 		no annotation 5 ALA B 256
LYS B 223
ILE B 258
SER B 253
LEU B 254
 None
 1.12A 3gyqB-5v13B:
undetectable		 3gyqB-5v13B:
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.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 5 GLY A 150
ILE A 123
SER A 111
LEU A 112
VAL A 234
 None
None
PHB  A 602 (-2.5A)
None
None
 1.25A 3gyqB-5w1eA:
undetectable		 3gyqB-5w1eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		5 LEU A 176
ALA A 179
GLY A 266
MET A 224
LEU A 259
 None
None
HEM  A 502 (-3.6A)
None
None
 1.16A 3gyqB-5xjnA:
undetectable		 3gyqB-5xjnA:
22.64
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 LEU A 161
ALA A 190
GLY A 141
ILE A 162
LEU A 164
 None
 1.21A 3gyqB-5xwwA:
2.7		 3gyqB-5xwwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 LEU A 306
ALA A 301
GLY A 283
ILE A 302
SER A 391
 None
 1.06A 3gyqB-6arrA:
undetectable		 3gyqB-6arrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4e NUCLEOPORIN GLE1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 431
ALA B 426
ILE B 428
SER B 423
LEU B 424
 None
 1.24A 3gyqB-6b4eB:
undetectable		 3gyqB-6b4eB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ALA A 156
GLY A 117
ILE A 158
LEU A 212
SER A 166
 None
 1.16A 3gyqB-6c62A:
undetectable		 3gyqB-6c62A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 ALA C 241
ILE C 336
MET C 340
SER C 275
LEU C 274
 None
 0.97A 3gyqB-6cajC:
3.3		 3gyqB-6cajC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ck0 BIOTIN ACETYL
COENZYME A
CARBOXYLASE
SYNTHETASE

(Helicobacter
pylori) 		no annotation 5 ALA A  36
GLY A 128
ILE A  34
SER A  14
SER A  60
 None
F5D  A 301 (-3.5A)
None
F5D  A 301 (-2.7A)
F5D  A 301 ( 3.7A)
 1.19A 3gyqB-6ck0A:
undetectable		 3gyqB-6ck0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6con COA-TRANSFERASE
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA B  95
GLY B 157
ILE B 106
VAL B 153
SER B 154
 None
 1.24A 3gyqB-6conB:
undetectable		 3gyqB-6conB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 LEU C 503
ALA C 315
GLY C 515
ILE C 313
VAL C 308
 None
 1.23A 3gyqB-6f5oC:
undetectable		 3gyqB-6f5oC:
undetectable