SIMILAR PATTERNS OF AMINO ACIDS FOR 4A3U_A_NCAA1359_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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 THR A 298
TRP A 317
TYR A 315
TYR A 255
 None
 1.46A 4a3uA-1bf2A:
5.4		 4a3uA-1bf2A:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  37
TRP A 112
HIS A 187
TYR A 192
TYR A 358
 2PE  A 503 ( 3.4A)
None
FMN  A 501 (-3.7A)
2PE  A 503 (-4.9A)
FMN  A 501 ( 3.9A)
 0.38A 4a3uA-1icpA:
53.1		 4a3uA-1icpA:
38.54
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 THR A 180
ASN A 149
TYR A 103
TYR A 204
 PLP  A 400 ( 4.1A)
None
PLP  A 400 (-3.6A)
None
 1.42A 4a3uA-1n8pA:
undetectable		 4a3uA-1n8pA:
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 THR A 233
TRP A 235
HIS A 392
TYR A 394
 None
 1.25A 4a3uA-1qu2A:
undetectable		 4a3uA-1qu2A:
17.36
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.
1vff BETA-GLUCOSIDASE

(Pyrococcus
horikoshii) 		PF00232
(Glyco_hydro_1) 		4 THR A 268
TRP A 299
HIS A 342
ASN A 325
 None
 1.45A 4a3uA-1vffA:
12.5		 4a3uA-1vffA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 THR A 519
HIS A 383
ASN A 385
TYR A 331
 None
 1.35A 4a3uA-2c9kA:
undetectable		 4a3uA-2c9kA:
20.26
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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 4 THR L 407
TRP L 271
TRP L 120
HIS L 116
 None
 1.44A 4a3uA-2frvL:
undetectable		 4a3uA-2frvL:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		4 THR A  85
HIS A 136
TYR A  99
TYR A  52
 S6P  A 502 (-3.1A)
ZN  A 401 ( 3.3A)
S6P  A 502 (-4.8A)
S6P  A 502 (-4.3A)
 1.45A 4a3uA-2gc1A:
undetectable		 4a3uA-2gc1A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gh4 PUTATIVE GLYCOSYL
HYDROLASE YTER

(Bacillus
subtilis) 		PF07470
(Glyco_hydro_88) 		4 TRP A 141
HIS A 132
TYR A 136
TYR A 340
 None
GAD  A1002 (-3.9A)
None
None
 1.39A 4a3uA-2gh4A:
undetectable		 4a3uA-2gh4A:
22.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  26
TRP A 102
HIS A 181
ASN A 184
TYR A 186
 PE4  A4124 ( 3.7A)
None
FMN  A4401 (-3.4A)
FMN  A4401 (-4.6A)
None
 0.29A 4a3uA-2gouA:
56.0		 4a3uA-2gouA:
43.60
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.
2i14 NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		4 THR A  80
HIS A  83
TYR A 332
TYR A 377
 None
 1.39A 4a3uA-2i14A:
3.4		 4a3uA-2i14A:
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 THR A 346
HIS A 349
ASN A  95
TYR A 171
 None
 1.49A 4a3uA-2inpA:
undetectable		 4a3uA-2inpA:
21.29
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.
2jpf HYPOTHETICAL PROTEIN

(Bordetella
parapertussis) 		PF11516
(DUF3220) 		4 THR A  59
TRP A  89
TRP A  36
TYR A  63
 None
 1.14A 4a3uA-2jpfA:
undetectable		 4a3uA-2jpfA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TRP A 550
HIS A 776
ASN A 783
TYR A 546
 None
 1.41A 4a3uA-2ogvA:
undetectable		 4a3uA-2ogvA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TRP A 108
HIS A 186
TYR A 191
TYR A 371
 FMN  A7401 (-3.8A)
FMN  A7401 ( 4.6A)
FMN  A7401 (-3.3A)
None
FMN  A7401 (-4.0A)
 0.42A 4a3uA-2q3oA:
52.2		 4a3uA-2q3oA:
39.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		5 THR A  33
HIS A 183
ASN A 186
TYR A 188
TYR A 354
 FMN  A 373 (-3.8A)
FMN  A 373 (-3.8A)
FMN  A 373 ( 4.9A)
None
FMN  A 373 (-3.8A)
 0.61A 4a3uA-2q3rA:
49.6		 4a3uA-2q3rA:
40.79
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 THR A 186
TRP A 182
HIS A  31
TYR A 223
 None
 1.47A 4a3uA-2qfrA:
undetectable		 4a3uA-2qfrA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 THR A  32
TRP A 106
HIS A 186
ASN A 189
TYR A 356
 FMN  A 401 ( 3.8A)
TXD  A 600 (-3.8A)
FMN  A 401 ( 3.6A)
TXD  A 600 ( 3.9A)
TXD  A 600 ( 3.4A)
 0.37A 4a3uA-2r14A:
53.8		 4a3uA-2r14A:
44.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 THR A 284
TRP A 243
ASN A 275
TYR A 319
 None
 1.28A 4a3uA-2vhhA:
2.7		 4a3uA-2vhhA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 TRP A 535
TRP A 526
HIS A 618
TYR A 539
 None
 1.22A 4a3uA-2x2iA:
5.1		 4a3uA-2x2iA:
16.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 THR A  28
HIS A 195
ASN A 198
TYR A 200
TYR A 364
 FMN  A 500 (-3.7A)
FMN  A 500 (-3.6A)
FMN  A 500 (-4.2A)
None
FMN  A 500 (-4.1A)
 0.33A 4a3uA-3atyA:
54.1		 4a3uA-3atyA:
40.67
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TRP A 246
TRP A 179
TYR A 170
TYR A 242
 EDO  A 301 ( 4.1A)
None
None
T8N  A 309 ( 4.2A)
 1.50A 4a3uA-3g5tA:
undetectable		 4a3uA-3g5tA:
23.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		6 THR A  33
TRP A 108
HIS A 181
ASN A 184
TYR A 186
TYR A 344
 FMN  A 362 (-3.8A)
None
FMN  A 362 (-3.7A)
FMN  A 362 (-4.4A)
None
FMN  A 362 (-4.2A)
 0.34A 4a3uA-3gkaA:
55.7		 4a3uA-3gkaA:
47.70
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 HIS A  48
ASN A  60
TYR A  55
TYR A 145
 None
None
None
EDO  A 463 (-4.6A)
 1.24A 4a3uA-3gzaA:
8.0		 4a3uA-3gzaA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 THR A  33
TRP A 108
HIS A 185
TYR A 190
TYR A 370
 FMN  A 401 (-3.8A)
FMN  A 401 ( 4.7A)
FMN  A 401 (-3.4A)
None
FMN  A 401 (-4.1A)
 0.23A 4a3uA-3hgoA:
53.4		 4a3uA-3hgoA:
37.91
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.
3k4i UNCHARACTERIZED
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF03737
(RraA-like) 		4 THR A 116
TRP A 100
TYR A  77
TYR A 133
 None
 0.98A 4a3uA-3k4iA:
undetectable		 4a3uA-3k4iA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kea K1L

(Vaccinia virus) 		PF12796
(Ank_2) 		4 THR A 252
HIS A 243
ASN A 261
TYR A 221
 None
 1.46A 4a3uA-3keaA:
undetectable		 4a3uA-3keaA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A  66
TRP A 100
HIS A 172
ASN A 175
 None
None
None
None
HG  A 403 (-4.7A)
 0.94A 4a3uA-3wjsA:
44.8		 4a3uA-3wjsA:
69.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 THR A  25
TRP A  66
TRP A 100
HIS A 172
TYR A 177
 None
 0.58A 4a3uA-3wjsA:
44.8		 4a3uA-3wjsA:
69.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		7 THR A  25
TRP A  66
TRP A 100
HIS A 172
ASN A 175
TYR A 177
TYR A 343
 NCA  A1359 ( 3.2A)
NCA  A1359 (-4.7A)
None
FMN  A1357 ( 3.6A)
NCA  A1359 ( 3.3A)
NCA  A1359 (-4.5A)
FMN  A1357 ( 4.2A)
 0.01A 4a3uA-4a3uA:
69.6		 4a3uA-4a3uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ab4 XENOBIOTIC REDUCTASE
B

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		6 THR A  25
TRP A 100
HIS A 173
ASN A 176
TYR A 178
TYR A 336
 FMN  A1351 (-3.8A)
None
FMN  A1351 ( 3.6A)
TNL  A1357 ( 3.6A)
TNL  A1357 (-4.7A)
FMN  A1351 (-3.0A)
 0.23A 4a3uA-4ab4A:
55.3		 4a3uA-4ab4A:
47.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4di3 TATT (TP0956)

(Treponema
pallidum) 		PF16811
(TAtT) 		4 THR A 161
TRP A 158
ASN A  82
TYR A 157
 None
 1.48A 4a3uA-4di3A:
undetectable		 4a3uA-4di3A:
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		4 THR A  15
HIS A 233
TYR A 273
TYR A 125
 None
 1.30A 4a3uA-4gouA:
undetectable		 4a3uA-4gouA:
20.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		6 THR A  25
TRP A  99
HIS A 178
ASN A 181
TYR A 183
TYR A 356
 FMN  A 401 ( 3.6A)
None
FMN  A 401 ( 3.6A)
HBA  A 402 ( 3.8A)
HBA  A 402 (-4.3A)
FMN  A 401 ( 4.2A)
 0.42A 4a3uA-4jipA:
55.0		 4a3uA-4jipA:
43.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		4 THR A  35
HIS A 188
TYR A 193
TYR A 374
 FMN  A 501 ( 3.8A)
FMN  A 501 (-3.7A)
23W  A 508 ( 4.0A)
FMN  A 501 (-4.0A)
 0.24A 4a3uA-4m5pA:
47.2		 4a3uA-4m5pA:
33.41
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.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens) 		PF01229
(Glyco_hydro_39) 		4 THR A 601
HIS A 539
TYR A 625
TYR A 581
 None
 1.34A 4a3uA-4obsA:
6.9		 4a3uA-4obsA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		4 TRP A 145
HIS A  86
ASN A 441
TYR A 450
 None
None
BEM  A 804 ( 4.7A)
LGU  A 802 (-4.4A)
 1.35A 4a3uA-4ojzA:
undetectable		 4a3uA-4ojzA:
18.00
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.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		4 THR A 173
HIS A  86
ASN A 138
TYR A 203
 None
ZN  A 401 ( 3.0A)
ACT  A 402 (-3.5A)
None
 1.47A 4a3uA-4okoA:
undetectable		 4a3uA-4okoA:
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 TRP A 337
ASN A 245
TYR A 247
TYR A 333
 None
CTT  A1001 (-3.6A)
None
None
 1.49A 4a3uA-4qljA:
13.4		 4a3uA-4qljA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		4 THR A  31
HIS A 173
ASN A 176
TYR A 178
 FMN  A 401 (-3.9A)
FMN  A 401 (-3.6A)
FMN  A 401 (-4.6A)
None
 0.26A 4a3uA-4qnwA:
48.9		 4a3uA-4qnwA:
38.04
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		6 THR A 136
TRP A 215
HIS A 290
ASN A 293
TYR A 295
TYR A  75
 FMN  A 401 (-3.7A)
None
FMN  A 401 ( 3.5A)
EDO  A 403 ( 3.7A)
EPE  A 402 (-4.4A)
EPE  A 402 ( 3.7A)
 0.27A 4a3uA-4rnwA:
31.4		 4a3uA-4rnwA:
24.31
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		6 THR A 285
TRP A 364
HIS A  40
ASN A  43
TYR A  45
TYR A 224
 FMN  A 501 (-3.7A)
FMN  A 501 ( 4.9A)
FMN  A 501 (-3.5A)
FMN  A 501 (-4.2A)
None
FMN  A 501 ( 4.8A)
 0.59A 4a3uA-4rnxA:
6.7		 4a3uA-4rnxA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		6 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 FMN  A 501 ( 3.7A)
HBA  A 502 (-4.3A)
FMN  A 501 ( 3.7A)
HBA  A 502 ( 3.6A)
HBA  A 502 (-4.5A)
FMN  A 501 ( 4.0A)
 0.28A 4a3uA-4tmcA:
48.4		 4a3uA-4tmcA:
36.61
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 THR A 268
HIS A 442
ASN A 438
TYR A 152
 None
None
P6G  A1649 (-3.4A)
None
 1.30A 4a3uA-4uirA:
undetectable		 4a3uA-4uirA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		4 TRP A 128
HIS A 119
TYR A 123
TYR A 334
 None
 1.47A 4a3uA-4wu0A:
undetectable		 4a3uA-4wu0A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y25 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
EXPORT PROTEIN

(Escherichia
coli) 		no annotation 4 THR A 719
ASN A 715
TYR A 714
TYR A 702
 None
 1.24A 4a3uA-4y25A:
undetectable		 4a3uA-4y25A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 THR A  37
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 4EG  A 402 ( 3.4A)
FMN  A 401 (-3.6A)
4EG  A 402 ( 3.0A)
4EG  A 402 (-3.7A)
FMN  A 401 (-4.9A)
 0.63A 4a3uA-4yncA:
48.7		 4a3uA-4yncA:
32.92
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.
5c2m PREDICTED PROTEIN

(Nematostella
vectensis) 		PF14517
(Tachylectin) 		4 TRP A 192
TRP A 224
HIS A 227
ASN A 230
 None
 1.48A 4a3uA-5c2mA:
undetectable		 4a3uA-5c2mA:
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.
5dmn HOMOCYSTEINE
S-METHYLTRANSFERASE

(Escherichia
coli) 		PF02574
(S-methyl_trans) 		4 THR A 235
TRP A 284
ASN A 255
TYR A 280
 None
 1.34A 4a3uA-5dmnA:
12.9		 4a3uA-5dmnA:
23.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		5 THR A  28
TRP A 103
HIS A 180
TYR A 185
TYR A 367
 FMN  A7401 (-3.9A)
FMN  A7401 ( 4.9A)
FMN  A7401 (-3.4A)
None
FMN  A7401 (-4.0A)
 0.25A 4a3uA-5dxxA:
53.8		 4a3uA-5dxxA:
36.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 THR A  27
TRP A 102
HIS A 176
ASN A 179
TYR A 181
 None
 0.32A 4a3uA-5epdA:
52.7		 4a3uA-5epdA:
42.64
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.
5exr DNA PRIMASE LARGE
SUBUNIT

(Homo sapiens) 		PF04104
(DNA_primase_lrg) 		4 THR B 363
HIS B 443
ASN B 445
TYR B 362
 None
 1.41A 4a3uA-5exrB:
undetectable		 4a3uA-5exrB:
21.46
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 THR A 101
HIS A  32
ASN A  16
TYR A 267
 None
 1.45A 4a3uA-5h42A:
undetectable		 4a3uA-5h42A:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4a ARGONAUTE PROTEIN

(Marinitoga
piezophila) 		no annotation 4 THR A 603
HIS A 607
TYR A 268
TYR A 600
 None
 1.33A 4a3uA-5i4aA:
undetectable		 4a3uA-5i4aA:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 THR A  35
TRP A 110
HIS A 182
ASN A 185
TYR A 187
 TNF  A 401 ( 3.4A)
TNF  A 401 (-3.5A)
TNF  A 401 ( 3.5A)
TNF  A 401 ( 3.0A)
TNF  A 401 (-3.6A)
 0.33A 4a3uA-5k1uA:
49.3		 4a3uA-5k1uA:
38.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		4 THR A  26
HIS A 181
TYR A 186
TYR A 351
 IPA  A 405 ( 3.4A)
FMN  A 401 (-3.8A)
None
FMN  A 401 ( 4.0A)
 0.21A 4a3uA-5lgxA:
54.8		 4a3uA-5lgxA:
41.62
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.
5m63 H CHAIN OF FAB
NVS-1-19-5
L CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR L 123
TRP H  65
HIS H 127
ASN L 118
 None
None
SIA  H 306 ( 3.7A)
None
 1.24A 4a3uA-5m63L:
undetectable		 4a3uA-5m63L:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 THR A 532
HIS A 453
ASN A 500
TYR A 463
 None
 1.49A 4a3uA-5nf2A:
undetectable		 4a3uA-5nf2A:
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		4 THR A 214
HIS A 115
ASN A 116
TYR A 220
 None
EDO  A 816 (-3.7A)
None
None
 1.27A 4a3uA-5v1wA:
undetectable		 4a3uA-5v1wA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 6 THR A  37
TRP A 116
HIS A 191
ASN A 194
TYR A 196
TYR A 375
 HBA  A 402 ( 3.9A)
HBA  A 402 ( 4.8A)
FMN  A 401 ( 3.5A)
HBA  A 402 ( 3.7A)
HBA  A 402 (-4.2A)
HBA  A 402 ( 4.4A)
 0.37A 4a3uA-5v4pA:
48.6		 4a3uA-5v4pA:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 THR C3867
TRP C3842
ASN C4115
TYR C3839
 None
 1.34A 4a3uA-5y3rC:
undetectable		 4a3uA-5y3rC:
6.51
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 10

(Homo sapiens) 		no annotation 4 THR B  73
HIS B 110
TYR B 137
TYR B  30
 None
 1.29A 4a3uA-6c9mB:
undetectable		 4a3uA-6c9mB:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 THR A 284
ASN A 368
TYR A 476
TYR A 287
 None
 1.36A 4a3uA-6cipA:
undetectable		 4a3uA-6cipA:
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.
6eyu BACTERIORHODOPSIN

(Candidatus
Nanosalina sp.
J07AB43) 		no annotation 4 THR A  91
HIS A  48
TYR A 216
TYR A 163
 None
 1.21A 4a3uA-6eyuA:
undetectable		 4a3uA-6eyuA:
undetectable