SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_A_SAMA501_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLU A 185
ASP A 465
ASP A 243
ASN A 236
 ADP  A 998 (-4.7A)
MG  A 997 ( 3.3A)
None
None
 1.13A 3vywA-1br2A:
undetectable		 3vywA-1br2A:
19.44
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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 HIS B  92
ASP B  73
ASP B 216
GLU A 150
 None
CA  B 554 (-2.2A)
None
CA  B 554 (-3.4A)
 1.33A 3vywA-1cp9B:
undetectable		 3vywA-1cp9B:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 GLU E 107
ASP E 110
ASP E 118
ASN E  52
 None
 1.24A 3vywA-1cziE:
undetectable		 3vywA-1cziE:
19.59
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 HIS A  79
GLU A 238
ASP A  30
ASP A  38
 None
None
GDP  A 500 (-4.3A)
None
 1.31A 3vywA-1dj3A:
undetectable		 3vywA-1dj3A:
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 HIS A1223
ASP A1535
ASN A1541
GLU A1544
 None
 1.33A 3vywA-1e6yA:
undetectable		 3vywA-1e6yA:
16.78
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.
1fw3 OUTER MEMBRANE
PHOSPHOLIPASE A

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP A 251
ASP A 149
ASN A 145
GLU A 111
 None
None
S1H  A 144 ( 4.9A)
None
 1.20A 3vywA-1fw3A:
undetectable		 3vywA-1fw3A:
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 GLU A 418
ASP A 343
ASP A 413
GLU A 342
 None
 1.30A 3vywA-1gkpA:
undetectable		 3vywA-1gkpA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.33A 3vywA-1hsjA:
undetectable		 3vywA-1hsjA:
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.
1iay 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
SYNTHASE 2

(Solanum
lycopersicum) 		PF00155
(Aminotran_1_2) 		4 ASP A  61
ASP A 324
ASN A 330
GLU A 334
 None
 1.18A 3vywA-1iayA:
2.5		 3vywA-1iayA:
21.92
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.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida) 		no annotation
PF08992
(QH-AmDH_gamma) 		4 HIS B 295
GLU G  66
ASP B 317
ASN B  18
 None
 1.19A 3vywA-1jmzB:
undetectable		 3vywA-1jmzB:
22.19
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		4 GLU A 419
ASP A 344
ASP A 414
GLU A 343
 None
 1.34A 3vywA-1k1dA:
undetectable		 3vywA-1k1dA:
25.16
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 216
ASP A 251
ASP A 274
GLU A 282
 None
None
SO4  A 483 (-4.5A)
None
 1.08A 3vywA-1k7hA:
undetectable		 3vywA-1k7hA:
20.84
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 HIS A 434
GLU A 114
ASP A  67
GLU A  66
 HEM  A1523 (-3.2A)
CA  A1526 ( 3.4A)
None
None
 1.33A 3vywA-1oahA:
undetectable		 3vywA-1oahA:
19.70
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 HIS A  57
ASP A  69
ASP A 279
ASN A 285
 NI  A9001 (-3.3A)
None
NI  A9001 (-2.6A)
None
 1.05A 3vywA-1p1mA:
undetectable		 3vywA-1p1mA:
23.33
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.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP C 251
ASP C 149
ASN C 145
GLU C 111
 None
 1.07A 3vywA-1qd6C:
undetectable		 3vywA-1qd6C:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 HIS A 536
ASP A 430
ASN A 286
GLU A 372
 None
 1.28A 3vywA-1rw9A:
undetectable		 3vywA-1rw9A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 HIS A 183
GLU A 398
ASP A 143
GLU A 146
 None
 1.24A 3vywA-1s1fA:
undetectable		 3vywA-1s1fA:
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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 HIS A 350
ASP A 346
ASN A 298
GLU A 300
 None
 1.27A 3vywA-1s4oA:
undetectable		 3vywA-1s4oA:
20.44
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.33A 3vywA-1tezA:
undetectable		 3vywA-1tezA:
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 GLU A 984
ASP A 933
ASP A 847
ASN A 855
 None
None
CA  A2010 ( 2.8A)
None
 1.24A 3vywA-1ux6A:
undetectable		 3vywA-1ux6A:
17.33
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.
1w7j MYOSIN LIGHT CHAIN 1

(Homo sapiens) 		no annotation 4 GLU B 124
ASP B  34
ASN B  45
GLU B 118
 None
 1.19A 3vywA-1w7jB:
undetectable		 3vywA-1w7jB:
22.04
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.32A 3vywA-1y4cA:
undetectable		 3vywA-1y4cA:
20.20
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		4 HIS A 173
GLU A 122
ASP A 126
ASP A 150
 None
 1.25A 3vywA-1yb2A:
4.2		 3vywA-1yb2A:
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.
2b2x ANTIBODY AQC2 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS L 202
GLU L 104
ASP L  17
ASP L 114
 None
 1.09A 3vywA-2b2xL:
undetectable		 3vywA-2b2xL:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		4 GLU A 263
ASP A 254
ASP A 321
ASN A 258
 None
 1.23A 3vywA-2cu2A:
undetectable		 3vywA-2cu2A:
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 4 HIS I 262
ASP I 395
ASP I 322
GLU I 394
 NGT  A  21 (-3.4A)
None
NGT  A  21 (-3.2A)
None
 1.25A 3vywA-2gk1I:
undetectable		 3vywA-2gk1I:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pkh HISTIDINE
UTILIZATION
REPRESSOR

(Pseudomonas
syringae group
genomosp. 3) 		PF07702
(UTRA) 		4 HIS A 140
GLU A 200
ASP A 156
GLU A 195
 None
EDO  A1014 (-4.2A)
None
None
 1.29A 3vywA-2pkhA:
undetectable		 3vywA-2pkhA:
19.52
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 S4M  A 501 (-3.7A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 1.27A 3vywA-2pt6A:
7.1		 3vywA-2pt6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLU A 121
ASP A 176
ASP A 198
ASN A 205
 None
 0.85A 3vywA-2qy6A:
23.1		 3vywA-2qy6A:
24.63
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.
2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4

(Homo sapiens) 		PF00443
(UCH) 		4 ASP A 403
ASP A 449
ASN A 410
GLU A 407
 None
 1.30A 3vywA-2y6eA:
undetectable		 3vywA-2y6eA:
20.37
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		4 ASP A 154
ASP A 119
ASN A  54
GLU A  56
 CA  A1521 (-3.0A)
None
None
CA  A1521 (-2.1A)
 1.28A 3vywA-2yjqA:
undetectable		 3vywA-2yjqA:
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.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 GLU A  92
ASP A  31
ASP A 255
ASN A  16
 FMT  A1264 (-3.2A)
None
None
None
 1.00A 3vywA-2yn2A:
undetectable		 3vywA-2yn2A:
22.67
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.33A 3vywA-3a3cA:
undetectable		 3vywA-3a3cA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b0p TRNA-DIHYDROURIDINE
SYNTHASE

(Thermus
thermophilus) 		PF01207
(Dus) 		4 HIS A 278
GLU A  57
ASP A  16
GLU A  48
 None
 1.31A 3vywA-3b0pA:
undetectable		 3vywA-3b0pA:
23.40
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.
3ckl SULFOTRANSFERASE
FAMILY CYTOSOLIC 1B
MEMBER 1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 HIS A 243
GLU A  56
ASP A  66
GLU A  68
 None
 0.88A 3vywA-3cklA:
undetectable		 3vywA-3cklA:
23.56
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 HIS A 317
GLU A 354
ASP A 360
ASN A 270
 None
 1.15A 3vywA-3cuxA:
undetectable		 3vywA-3cuxA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1

(Escherichia
coli;
Arabidopsis
thaliana) 		PF00400
(WD40)
PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.31A 3vywA-3dm0A:
undetectable		 3vywA-3dm0A:
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.
3emq ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		4 GLU A  44
ASP A 301
ASN A 296
GLU A  30
 HAH  A1000 ( 4.9A)
None
None
None
 1.28A 3vywA-3emqA:
undetectable		 3vywA-3emqA:
22.59
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.32A 3vywA-3f5fA:
undetectable		 3vywA-3f5fA:
18.95
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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 HIS A4326
GLU A4147
ASP A4346
GLU A4162
 None
 1.27A 3vywA-3g1nA:
undetectable		 3vywA-3g1nA:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		4 GLU A 196
ASP A 242
ASN A 116
GLU A 115
 None
RIB  A 305 (-2.9A)
None
None
 1.20A 3vywA-3go7A:
2.7		 3vywA-3go7A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 163
ASP A 224
ASP A 339
GLU A 227
 C2O  A1002 (-3.3A)
None
None
None
 1.33A 3vywA-3gyrA:
undetectable		 3vywA-3gyrA:
18.88
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		4 HIS A 330
ASP A 283
ASP A 291
ASN A 309
 None
 1.34A 3vywA-3h8lA:
undetectable		 3vywA-3h8lA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		4 HIS 2 174
ASP 1  30
ASP 1 109
GLU 1 151
 None
 1.28A 3vywA-3i9v2:
undetectable		 3vywA-3i9v2:
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 147
ASP A 112
ASN A  46
GLU A  48
 CA  A 514 (-3.0A)
GOL  A 528 (-4.4A)
None
CA  A 514 (-2.2A)
 1.25A 3vywA-3ik2A:
undetectable		 3vywA-3ik2A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jro NUCLEOPORIN NUP84

(Saccharomyces
cerevisiae) 		PF04121
(Nup84_Nup100) 		4 HIS C 341
ASP C  58
ASP C  67
GLU C  59
 None
 1.30A 3vywA-3jroC:
undetectable		 3vywA-3jroC:
22.71
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 HIS F  11
ASP F 188
ASN F 210
GLU F 245
 MG  F 674 (-3.5A)
None
G  L  73 ( 3.8A)
G  L  73 ( 4.9A)
 1.26A 3vywA-3kfuF:
undetectable		 3vywA-3kfuF:
21.06
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.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 GLU A -36
ASP A -30
ASP A -57
ASN A -50
 None
 1.34A 3vywA-3l2jA:
undetectable		 3vywA-3l2jA:
20.48
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		4 HIS A  90
ASP A 103
ASP A 331
ASN A 337
 CA  A 471 (-3.6A)
None
CA  A 471 (-2.7A)
None
 0.96A 3vywA-3lnpA:
undetectable		 3vywA-3lnpA:
21.98
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.
3n93 MALTOSE BINDING
PROTEIN-CRFR2 ALPHA

(Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 GLU A -62
ASP A -56
ASP A -83
ASN A -76
 None
 1.33A 3vywA-3n93A:
undetectable		 3vywA-3n93A:
20.20
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 563
ASP A 287
ASN A 294
 None
 1.33A 3vywA-3osrA:
undetectable		 3vywA-3osrA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLU A 101
ASP A 156
ASP A 178
ASN A 185
 SAM  A 670 (-2.6A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
SAM  A 670 ( 4.1A)
 0.64A 3vywA-3ps9A:
22.3		 3vywA-3ps9A:
19.07
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		4 GLU A 419
ASP A 344
ASP A 414
GLU A 343
 None
 1.28A 3vywA-3sfwA:
undetectable		 3vywA-3sfwA:
22.62
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.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		4 HIS A 254
GLU A  90
ASP A 173
ASN A 142
 None
 1.18A 3vywA-3tebA:
3.0		 3vywA-3tebA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		4 HIS A  65
ASP A 466
ASP A  78
GLU A 468
 None
 1.29A 3vywA-3vilA:
undetectable		 3vywA-3vilA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 HIS A  68
GLU A 133
ASP A 174
ASP A 193
ASN A 200
GLU A 202
 SAM  A 501 (-4.2A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.2A)
 0.00A 3vywA-3vywA:
54.1		 3vywA-3vywA:
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 HIS A 152
GLU A  42
ASP A 115
GLU A  95
 GOL  A 302 (-3.9A)
None
GOL  A 302 (-2.8A)
None
 1.17A 3vywA-3we7A:
2.8		 3vywA-3we7A:
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.
3wic GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 HIS A  68
GLU A 353
ASP A  44
GLU A 342
 ZN  A1001 (-3.3A)
None
None
None
 1.26A 3vywA-3wicA:
2.3		 3vywA-3wicA:
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 HIS A 485
GLU A 421
ASP A 344
ASP A 482
 None
None
GLC  A 801 (-2.4A)
None
 1.34A 3vywA-3wiqA:
undetectable		 3vywA-3wiqA:
18.56
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		4 HIS A 148
GLU A  38
ASP A 111
GLU A  91
 TAM  A 309 (-4.8A)
None
None
None
 1.17A 3vywA-3wl4A:
2.9		 3vywA-3wl4A:
24.70
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		4 GLU A 178
ASP A 218
ASN A 182
GLU A 143
 NA  A 402 (-2.8A)
None
None
None
 1.32A 3vywA-3wsuA:
undetectable		 3vywA-3wsuA:
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.
4bed HEMOCYANIN KLH1
HEMOCYANIN KLH1

(Megathura
crenulata;
Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2478
ASP B2248
ASP A1188
ASN B2430
 None
 1.32A 3vywA-4bedB:
undetectable		 3vywA-4bedB:
11.01
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 HIS A  74
ASP A  86
ASP A 309
ASN A 315
 ZN  A 501 (-3.2A)
None
ZN  A 501 (-2.6A)
GOL  A 503 ( 4.9A)
 0.95A 3vywA-4dykA:
undetectable		 3vywA-4dykA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 HIS A  80
ASP A  92
ASP A 315
ASN A 321
 ZN  A 504 (-3.1A)
None
ZN  A 505 ( 2.0A)
None
 0.93A 3vywA-4dzhA:
undetectable		 3vywA-4dzhA:
20.85
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 HIS A 128
GLU A 124
ASP A   5
GLU A  23
 None
 1.28A 3vywA-4fgmA:
undetectable		 3vywA-4fgmA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		4 HIS A 271
ASP A 378
ASP A 364
ASN A 370
 None
 1.30A 3vywA-4fr2A:
undetectable		 3vywA-4fr2A:
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		4 HIS A 200
GLU A  26
ASP A  82
ASN A 105
 UNL  A 301 ( 4.7A)
None
None
None
 1.31A 3vywA-4h08A:
2.9		 3vywA-4h08A:
21.94
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		4 ASP A 487
ASP A 201
ASN A 195
GLU A 239
 None
 1.28A 3vywA-4jc8A:
3.0		 3vywA-4jc8A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 HIS A  66
GLU A 114
ASN A  56
GLU A  54
 None
None
EDO  A 306 (-3.6A)
EDO  A 306 (-3.8A)
 1.32A 3vywA-4ml9A:
2.4		 3vywA-4ml9A:
23.28
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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.26A 3vywA-4pqkA:
undetectable		 3vywA-4pqkA:
25.12
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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		4 HIS A 186
GLU A  48
ASP A 159
ASN A  57
 None
 1.27A 3vywA-4qb7A:
undetectable		 3vywA-4qb7A:
21.98
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		4 HIS A 127
GLU A 265
ASP A  12
ASP A 310
 None
 0.97A 3vywA-4s13A:
undetectable		 3vywA-4s13A:
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.
4u08 LIC11098

(Leptospira
interrogans) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 HIS A 196
GLU A 127
ASP A  80
ASN A 147
 ZN  A 505 (-3.2A)
None
None
None
 1.13A 3vywA-4u08A:
undetectable		 3vywA-4u08A:
22.65
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 None
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 1.28A 3vywA-4uoeA:
15.6		 3vywA-4uoeA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.31A 3vywA-4xa2A:
undetectable		 3vywA-4xa2A:
20.55
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 HIS A 512
GLU A 316
ASP A 312
ASN A 134
 None
XYL  A2015 ( 2.9A)
None
GOL  A2011 (-3.0A)
 1.24A 3vywA-4xwhA:
undetectable		 3vywA-4xwhA:
18.12
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 GLU A 281
ASP A 303
ASP A 255
ASN A 143
 None
None
GOL  A 401 (-2.7A)
None
 1.04A 3vywA-4yv7A:
undetectable		 3vywA-4yv7A:
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		4 HIS A 131
GLU A 269
ASP A  11
ASP A 314
 None
 1.09A 3vywA-4zadA:
undetectable		 3vywA-4zadA:
21.36
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 4 HIS A  35
GLU A  81
ASP A 134
ASP A  39
 None
 1.30A 3vywA-5a0kA:
undetectable		 3vywA-5a0kA:
19.78
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.
5aza MALTOSE-BINDING
PERIPLASMIC
PROTEIN,OLIGOSACCHAR
YL TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Escherichia
coli;
Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.31A 3vywA-5azaA:
undetectable		 3vywA-5azaA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5co8 NUCLEASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 HIS A 168
GLU A 379
ASP A 375
GLU A  27
 None
 1.26A 3vywA-5co8A:
undetectable		 3vywA-5co8A:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1
ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF00005
(ABC_tran)
PF02361
(CbiQ) 		4 HIS A 202
GLU B  95
ASP D 210
ASN A  92
 ANP  A 301 (-4.6A)
None
None
None
 0.78A 3vywA-5d3mA:
undetectable		 3vywA-5d3mA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dz2 GERMACRADIENOL/GEOSM
IN SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 HIS A  54
GLU A 237
ASP A  87
GLU A 161
 None
MG  A 402 ( 2.7A)
None
None
 0.97A 3vywA-5dz2A:
undetectable		 3vywA-5dz2A:
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 GLU B 416
ASP B 422
ASP B 395
ASN B 402
 None
 1.26A 3vywA-5eduB:
4.6		 3vywA-5eduB:
16.96
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.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLU A 715
ASP A 555
ASP A 565
ASN A 512
 None
 1.21A 3vywA-5fd2A:
undetectable		 3vywA-5fd2A:
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.
5g52 VP1
VP3

(Deformed wing
virus;
Deformed wing
virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv) 		4 GLU C 392
ASP C 253
ASN A  85
GLU A  82
 None
 1.24A 3vywA-5g52C:
undetectable		 3vywA-5g52C:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 HIS A 233
GLU A 299
ASP A 352
ASN A 357
 None
 1.17A 3vywA-5gr1A:
undetectable		 3vywA-5gr1A:
17.06
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 GLU A 206
ASP A 478
ASP A 257
ASN A 250
 AOV  A1500 (-4.2A)
MG  A1501 ( 4.6A)
None
None
 1.24A 3vywA-5i4eA:
undetectable		 3vywA-5i4eA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Escherichia
coli;
Mus musculus) 		PF00027
(cNMP_binding)
PF13416
(SBP_bac_8) 		4 GLU A -61
ASP A -55
ASP A -82
ASN A -75
 None
 1.33A 3vywA-5jonA:
undetectable		 3vywA-5jonA:
21.35
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.
5jpn COMPLEMENT C4-A
COMPLEMENT C4-A
COMPLEMENT C4-A

(Homo sapiens;
Homo sapiens;
Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
PF01759
(NTR)
PF07677
(A2M_recep) 		4 HIS B 836
GLU C1463
ASN A 240
GLU A 351
 None
 1.16A 3vywA-5jpnB:
undetectable		 3vywA-5jpnB:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 GLU A 284
ASP A 278
ASP A 289
GLU A 266
 None
 1.30A 3vywA-5mkfA:
undetectable		 3vywA-5mkfA:
15.26
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 4 HIS A 144
ASP A 334
ASP A  95
GLU A 282
 None
None
None
TLA  A 501 (-3.4A)
 1.30A 3vywA-5muxA:
undetectable		 3vywA-5muxA:
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 4 HIS A  41
GLU A 285
ASP A 189
ASP A 204
 None
 1.05A 3vywA-5o7gA:
undetectable		 3vywA-5o7gA:
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.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		4 HIS A 223
GLU A 147
ASP A 260
ASN A 157
 UDP  A 301 (-3.5A)
None
None
None
 1.30A 3vywA-5v4aA:
undetectable		 3vywA-5v4aA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		4 HIS A 474
GLU A 524
ASP A 551
ASP A 575
 None
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
 1.24A 3vywA-5wcjA:
5.5		 3vywA-5wcjA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wos CNPV058 BCL-2 LIKE
PROTEIN

(Canarypox virus) 		no annotation 4 ASP A  49
ASP A  37
ASN A  32
GLU A  24
 None
 1.32A 3vywA-5wosA:
undetectable		 3vywA-5wosA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 ASP A 645
ASP A 177
ASN A 650
GLU A 647
 None
 1.31A 3vywA-5x3jA:
undetectable		 3vywA-5x3jA:
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.
5xzu BETA-XYLANASE

(Bispora sp.
MEY-1) 		no annotation 4 GLU A 249
ASP A 290
ASN A  49
GLU A  92
 CBI  A 404 (-2.7A)
None
CBI  A 404 (-3.2A)
CBI  A 404 (-3.8A)
 1.08A 3vywA-5xzuA:
undetectable		 3vywA-5xzuA:
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.
6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG

(Escherichia
coli;
Pseudomonas
phage JBD30) 		no annotation 4 GLU A 388
ASP A 394
ASP A 367
ASN A 374
 None
 1.34A 3vywA-6anvA:
undetectable		 3vywA-6anvA:
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.
6c3b UNCHARACTERIZED
PROTEIN

(Streptomyces
cattleya) 		no annotation 4 ASP A 137
ASP A 198
ASN A 166
GLU A 138
 None
LLP  A 235 ( 2.8A)
EDO  A 403 ( 4.7A)
EDO  A 405 ( 4.6A)
 1.29A 3vywA-6c3bA:
2.4		 3vywA-6c3bA:
undetectable